SCHEMBL3738879

SCHEMBL3738879

CC(=O)OC1(c2ccccc2)C=CC(=O)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 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
SCHEMBL3680811 0.78 MMP2 (0.38) GAAALDH1A1MMP2MMP9MAPT
SCHEMBL11499561 0.70 MIF (0.34) MAPTKMT2AMEN1HSD17B10
SCHEMBL13508852 0.69 POLB (0.39) GAAALDH1A1MMP2MMP9MAPT
SCHEMBL3674004 0.67 POLB (0.44) GAAALDH1A1MMP2MMP9MAPT
SCHEMBL8873990 0.67 MMP2 (0.47) GAAALDH1A1MMP2MMP9MAPT
SCHEMBL5906264 0.66 TLR9 (0.40) GAAALDH1A1MMP2MMP9MAPT
SCHEMBL11602246 0.64 GAA (0.42) GAANPSR1ALDH1A1OPRM1OPRL1
SCHEMBL23762899 0.64 AKR1C1 (0.48) GAANPSR1OPRM1OPRL1MAPK1
SCHEMBL5033288 0.64 GAA (0.41) GAANPSR1ALDH1A1MAPTOPRM1
SCHEMBL28873575 0.63 GAA (0.41) GAANPSR1ALDH1A1OPRM1OPRL1

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 7 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
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 GAA 3679/4885NPSR1 3372/4885ALDH1A1 245/4885
US-20040220236-A1 4-Aryl quinols and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 GAA 3377/4885NPSR1 2565/4885ALDH1A1 556/4885

“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.