Water

Water

SCHEMBL3859934

Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1.O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.41
TP53 P04637 1/20 0.66
TSHR P16473 1/20 0.66
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C19 P33261 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL743190 1.00 TP53 (0.66) TP53TSHRTDP1ALDH1A1SMN1; SMN2
Water SCHEMBL1322822 1.00 TP53 (0.66) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL938198 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL29777001 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL6532887 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL72171 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL883098 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL72682 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL57818 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL6309997 0.98 TP53 (0.68) TP53TSHRTDP1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE CELLTRION, INC. (KR) 2023-04-20 US claimed
CN-115010652-A Synthesis process of piperidine derivative intermediate 苏州诚和医药化学有限公司 2022-09-06 CN claimed
EP-3858816-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE Celltrion, Inc. (KR) 2021-08-04 EP claimed
CN-112739686-A Novel process for the preparation of (-) -xylometazoline succinate 赛特瑞恩股份有限公司 2021-04-30 CN claimed
WO-2020067683-A1 NOVEL PROCESS FOR THE PREPARATION OF (+)-CIBENZOLINE SUCCINATE CELLTRION INC. (KR) 2020-04-02 WO claimed
WO-2020067684-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE (주)셀트리온 2020-04-02 WO claimed
EP-0924188-A1 Production of 0,0'-diacyltartaric acid crystals TORAY INDUSTRIES, INC. (JP) 1999-06-23 EP claimed
US-4447622-A SALT FORMATION WITH DI-P-TOLUOYL-D-TARTARIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH RAFI MARG (IN) 1984-05-08 US claimed
US-12533343-B2 Method for preparing (−)-cibenzoline succinate CELLTRION, INC. (KR) 2026-01-27 US disclosed
US-20250262308-A1 Compositions and Methods for Modulating Dopamine Receptor Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2025-08-21 US disclosed
CN-114364670-B Substituted benzyl-triazole compound for Cbl-b inhibition and further application thereof 纽力克斯治疗公司 2025-06-13 CN disclosed
EP-4522172-A1 COMPOSITIONS AND METHODS FOR MODULATING DOPAMINE RECEPTOR ACTIVITY The Regents of the University of California (US) 2025-03-19 EP disclosed
CN-114364667-B 3-Substituted piperidines for Cbl-b inhibition and use of Cbl-b inhibitors in combination with cancer vaccines and/or oncolytic viruses 紐力克斯治疗公司 2025-01-10 CN disclosed
CN-112739686-B Novel process for the preparation of (-) -sibutrazoline succinate 赛特瑞恩股份有限公司 2024-10-18 CN disclosed
EP-0214556-A1 Substituted hexahydro-arylquinolizine derivatives, processes for their preparation and pharmaceutical composition containing them MERCK & CO. INC. (US) 1987-03-18 EP disclosed
EP-0204254-A2 Substituted hexahydro arylquinolizines, processes for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-12-10 EP disclosed
US-4447622-A SALT FORMATION WITH DI-P-TOLUOYL-D-TARTARIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH RAFI MARG (IN) 1984-05-08 US disclosed
US-4447622-A SALT FORMATION WITH DI-P-TOLUOYL-D-TARTARIC ACID COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH RAFI MARG (IN) 1984-05-08 US disclosed
US-4399141-A 5-Alkyl or hydroxyalkyl substituted-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imines and anticonvulsant use thereof MERCK & CO., INC. (US) 1983-08-16 US disclosed
US-4335126-A SEDATIVES, TRANQUILIZERS, AND ANTIPYRETICS; NEUROLEPTIC AND ANTIEDEMIC AGENTS DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE SDHA, SDHB, ALDH5A1 MEN1 2361/4885TP53 2652/4885TSHR 4882/4885
US-20250262308-A1 Compositions and Methods for Modulating Dopamine Receptor Activity PARK7, PRLHR, SNCA MEN1 4361/4885TP53 2423/4885TSHR 53/4885
US-12533343-B2 Method for preparing (−)-cibenzoline succinate CIP2A, CACNA1A, SDHA MEN1 3073/4885TP53 1859/4885TSHR 4850/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.