SCHEMBL5848595

SCHEMBL5848595

O=C1C=CC(O)(c2cccs2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3673477 0.67 SIGMAR1 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11492393 0.67 POLB (0.57) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL3674004 0.67 POLB (0.44) TSHRLMNAKMT2ANPC1MAPT
SCHEMBL6068113 0.65 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1308581 0.64
SCHEMBL7315587 0.64 KDM4E (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20887803 0.64 OPRM1 (0.49) HCAR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL7316770 0.63 PDK2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1309560 0.61 OPRM1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1310931 0.61 OPRM1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404659-B1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2010-02-10 EP disclosed
US-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-21 US disclosed
US-7144893-B2 4-aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-12-05 US disclosed
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-11-04 US disclosed
EP-1404659-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-04-07 EP disclosed
WO-2003004479-A1 4-ARYL QUINOLS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-16 WO 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 (2 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-20060287396-A1 4-aryl quinols and analogs thereof as therapeutic agents TXNRD3, TXNRD1, TXN HCAR2 2971/4885CHRM2 3005/4885CHRM4 3618/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 HCAR2 3586/4885CHRM2 4068/4885CHRM4 4457/4885

“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.