SCHEMBL6726080

SCHEMBL6726080

CSC1(SC)CCOc2c(Cl)cc(C(C)=O)c(Cl)c21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6725585 0.88 KDM4E (0.31) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL7617148 0.67 TSHR (0.32)
SCHEMBL8133686 0.66
SCHEMBL7624171 0.64 ABL1 (0.34) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL7353994 0.62 HTR4 (0.52) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL7468599 0.61 MEN1 (0.38) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL6726076 0.60 PTGS1 (0.32)
SCHEMBL4421853 0.60 KDM4E (0.50) NPC1RAB9AKDM4E
SCHEMBL6725198 0.60 BACE1 (0.31)
SCHEMBL10498598 0.60 CYP3A4 (0.46) KDM4EALDH1A1HSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677460-B1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2004-01-13 US disclosed
US-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS IDEMITSU KOSAN COMPANY, LIMITED (JP) 2003-12-25 US disclosed
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2002-09-19 US disclosed
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds IDEMITSU KOSAN COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0712853-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 2001-02-28 EP disclosed
US-6136755-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 2000-10-24 US disclosed
US-6103668-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-08-15 US disclosed
US-6063936-A CARBOXY SUBSTITUTED BENZOTHIOPHENES USED AS HERBICIDE IDEMITSU KOSAN CO., LTD. (JP) 2000-05-16 US disclosed
US-5767289-A HERBICIDE INTERMEDIATES IDEMITSU KOSAN COMPANY, LIMITED (JP) 1998-06-16 US disclosed
US-5607898-A HERBICIDES IDEMITSU KOSAN COMPANY, LTD. (JP) 1997-03-04 US disclosed
EP-0712853-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-05-22 EP 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-20030236421-A1 AROMATIC CARBOXYLIC ACID BICYCLIC SULFUR COMPOUNDS XDH, SULT2A1, NAT1 NPC1 3971/4885RAB9A 2907/4885NOTUM 1869/4885
US-20010051733-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 NPC1 3971/4885RAB9A 2907/4885NOTUM 1869/4885
US-20020133024-A1 Aromatic carboxylic acid bicyclic sulfur compounds XDH, SULT2A1, NAT1 NPC1 3971/4885RAB9A 2907/4885NOTUM 1869/4885

“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.