SCHEMBL3870643

SCHEMBL3870643

O=C([O-])c1cc2ccccc2cc1O.[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
POLB P06746 3/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 5/20 0.47
AR P10275 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL9017418 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29703809 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29881659 1.00 KDM4E (0.57) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8411322 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
Lithium Ion SCHEMBL5874911 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
Potassium Ion SCHEMBL9017417 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9808578 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10800186 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
Zinc Ion SCHEMBL5964694 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6697934 0.96 MEN1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207283-A1 WATER SOLUBLE COMPLEX COMPOSITIONS AND METHODS THEREOF VETERINARY PHARMACY CORPORATION 2024-06-27 US claimed
US-20240197632-A1 WATER SOLUBLE COMPLEX COMPOSITIONS OF IBUPROFEN VETERINARY PHARMACY CORPORATION 2024-06-20 US claimed
EP-4346769-A1 WATER SOLUBLE COMPLEX COMPOSITIONS AND METHODS THEREOF Veterinary Pharmacy Corporation (US) 2024-04-10 EP claimed
US-20240091302-A1 CARBETOCIN DRUG PRODUCT AND PROCESS FOR PREPARING SAME ACADIA PHARMACEUTICALS, INC.. (US) 2024-03-21 US claimed
CN-117479925-A Water-soluble complex compositions and methods thereof 兽医制药公司 2024-01-30 CN claimed
US-11844764-B2 Agitation process for preparing a carbetocin drug product ACADIA PHARMACEUTICALS, INC. (US) 2023-12-19 US claimed
WO-2023108277-A1 CANNABINOID AND PSYCHEDELIC FORMULATIONS COMPRISING HYDROTROPIC AGENTS AGILE PHARMACEUTICALS SOLUTIONS INC. (CA) 2023-06-22 WO claimed
CN-116178183-A Clean thickening imbibition multiple-effect agent for efficient development of compact oil and preparation method thereof 重庆科技学院 2023-05-30 CN claimed
CN-115678517-A High-temperature-resistant viscoelastic fluid based on surfactant in ultralong chain and preparation method and application thereof 四川大学 2023-02-03 CN claimed
WO-2022251876-A9 WATER SOLUBLE COMPLEX COMPOSITIONS AND METHODS THEREOF VETERINARY PHARMACY CORPORATION (US) 2023-01-19 WO claimed
WO-2001083946-A1 FRACTURING FLUID TRICAN WELL SERVICE LTD. (CA) 2001-11-08 WO claimed
US-6117527-A RECORDING SHEET COMPRISING SUBSTRATE HAVING IMAGE-RECEIVING COATING ON SURFACE COMPRISING BINDER POLYMER AND SELECTED ADDITIVE; HIGH QUALITY IMAGES WITH REDUCED OR NO HAZE XEROX CORPORATION (US) 2000-09-12 US claimed
EP-0991745-A1 ADDITIVE FOR A DETERGENT FORMULATION, DETERGENT FORMULATION COMPRISING SUCH AN ADDITIVE AND USE OF SAID FORMATION FOR CLEANING BOTTLES UNILEVER N.V. (NL) 2000-04-12 EP claimed
EP-0897808-A1 Recording sheets and ink jet printing processes therewith Xerox Corporation (US) 1999-02-24 EP claimed
WO-1998059027-A1 ADDITIVE FOR A DETERGENT FORMULATION, DETERGENT FORMULATION COMPRISING SUCH AN ADDITIVE AND USE OF SAID FORMATION FOR CLEANING BOTTLES UNILEVER N.V. (NL) 1998-12-30 WO claimed
EP-0366280-B1 GREASE COMPOSITION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-19 EP claimed
US-4960433-A ABSORBING DYE INTO ELECTROPHORETICALLY DEPOSITED RESIN PRIOR TO CURING; SOLVENTS, HYDROTROPES; NON-DAMAGE TO FILM ALBRIGHT & WILSON LIMITED (GB) 1990-10-02 US claimed
EP-0162640-B1 DEPOSTION PROCESSES Albright & Wilson Limited (GB) 1990-06-27 EP claimed
US-4929369-A FUSED RING CARBOXYLIC ACID SALT, SYNTHETIC OIL, MINERAL OILS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-29 US claimed
EP-0162640-A1 Depostion processes Albright & Wilson Limited (GB) 1985-11-27 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20240197632-A1 WATER SOLUBLE COMPLEX COMPOSITIONS OF IBUPROFEN PWWP2B, S100P, S100A6 KDM4E 4824/4885ALDH1A1 2356/4885HPGD 92/4885
US-11844764-B2 Agitation process for preparing a carbetocin drug product PRKD2, PRKD1, DCTD KDM4E 2710/4885ALDH1A1 2398/4885HPGD 3125/4885
US-20240091302-A1 CARBETOCIN DRUG PRODUCT AND PROCESS FOR PREPARING SAME DCTD, PRKD2, NCAPD2 KDM4E 2310/4885ALDH1A1 2021/4885HPGD 2737/4885
US-20240207283-A1 WATER SOLUBLE COMPLEX COMPOSITIONS AND METHODS THEREOF PWWP2B, S100A6, ANXA6 KDM4E 3288/4885ALDH1A1 1742/4885HPGD 78/4885

“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.