SCHEMBL3680339

SCHEMBL3680339

CC1=CC(O)(c2nc3ccccc3s2)C=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CASR P41180 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
DDAH1 O94760 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB5 P28074 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA1 P30542 1/20 0.40
DYRK1A Q13627 1/20 0.40
CCR6 P51684 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL3677914 0.76 CHRM2 (0.44) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL10548809 0.73 CRBN (0.44) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL3673583 0.69 CASR (0.46) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL14938872 0.68 NPC1 (0.43) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL4908372 0.67 CASR (0.50) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL13508831 0.67 ALDH1A1 (0.42) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL29690713 0.66 CASR (0.49) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL24281022 0.66 KMT2A (0.50) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL3675899 0.65 CHRM2 (0.40) ALDH1A1CASRCHRM2CHRM4CHRM5
SCHEMBL350872 0.65 CHRM2 (0.45) ALDH1A1CASRCHRM2CHRM4CHRM5

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 ALDH1A1 245/4885CASR 4494/4885CHRM2 3005/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 ALDH1A1 556/4885CASR 4687/4885CHRM2 4068/4885

“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.