SCHEMBL2231003

SCHEMBL2231003

Cc1ccc(OCC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
XBP1 P17861 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
WDR5 P61964 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 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
SCHEMBL14465630 0.94 HPGD (0.51) TSHRUSP2MAPTHPGDPOLB
SCHEMBL123415 0.90 MAPT (0.55) TSHRMAPTHPGDPOLBXBP1
SCHEMBL15871058 0.88 TSHR (0.42) TSHRUSP2MAPTHPGDPOLB
SCHEMBL20851318 0.83 MAPT (0.58) TSHRMAPTHPGDPOLBXBP1
SCHEMBL14570065 0.82 LMNA (0.67) TSHRUSP2MAPTPOLBKDM4E
SCHEMBL18295367 0.82 SCN4A (0.52) TSHRUSP2CYP2C9LMNADRD2
SCHEMBL20207652 0.82 USP2 (0.47) TSHRUSP2MAPTKDM4ECYP2C9
SCHEMBL29690404 0.82 USP2 (0.47) TSHRUSP2MAPTKDM4ECYP2C9
SCHEMBL9479823 0.82 SCN4A (0.52) TSHRUSP2CYP2C9LMNADRD2
SCHEMBL19121278 0.82 USP2 (0.47) TSHRUSP2MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP claimed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO claimed
US-20090171046-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
EP-2075267-A2 Process for producing polydienes Bridgestone Corporation (JP) 2009-07-01 EP claimed
US-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c ACADIA PHARMACEUTICALS INC. (US) 2023-12-12 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use NOCION THERAPEUTICS INC (US) 2023-06-22 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-11641858-B2 Agricultural chemicals REDAG CROP PROTECTION LTD. (GB) 2023-05-09 US disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed
US-4113782-A CATALYTIC OXIDATION AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1978-09-12 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 (6 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-11840515-B2 Methods for preparing N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-(4-(2-methylpropyloxy)phenylmethyl)carbamide and its tartrate salt and polymorphic form c NR3C2, NR2C2, CYP4A22 TSHR 861/4885USP2 3977/4885MAPT 4837/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885USP2 4200/4885MAPT 4883/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885USP2 4282/4885MAPT 4256/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 TSHR 573/4885USP2 1261/4885MAPT 4150/4885
US-20230192613-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 TSHR 4055/4885USP2 4713/4885MAPT 1799/4885
US-11641858-B2 Agricultural chemicals DDT, CYP4X1, CYP1A2 TSHR 2988/4885USP2 1495/4885MAPT 1555/4885

“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.