SCHEMBL1367592

SCHEMBL1367592

O=C(CC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cc2cc(Cl)ccc2oc1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.74
MAOB P27338 5/20 0.72
KDM4E B2RXH2 4/20 0.72
GPR35 Q9HC97 2/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2C9 P11712 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 1/20 0.58
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
ADAM17 P78536 1/20 0.56
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.55
NT5E P21589 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL28703858 0.88 TSHR (0.71) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL29450319 0.88 TSHR (0.71) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL1366856 0.85 KDM4E (0.79) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL1368563 0.85 KDM4E (0.79) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL9068782 0.84 KDM4E (1.00) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL17037285 0.83 MAOB (1.00) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL22502678 0.82 MEN1 (0.72) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL1365809 0.81 GRIN1 (0.72) TSHRKDM4EGPR35ALDH1A1MEN1
SCHEMBL1368479 0.81 TSHR (0.51) TSHRMAOBKDM4EGPR35ALDH1A1
SCHEMBL14464476 0.79 MAOB (0.68) TSHRMAOBKDM4EGPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US claimed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 WO claimed
US-8067461-B2 3-acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-11-29 US disclosed
US-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-05 US disclosed
WO-2006132947-A2 3-ACYL COUMARINS, THIOCHROMONES AND QUINOLONES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-12-14 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 (1 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-20090275650-A1 3-Acyl coumarins, thiochromones and quinolones and therapeutic uses thereof NQO2, NQO1, HCCS TSHR 3043/4885MAOB 2929/4885KDM4E 2293/4885

“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.