SCHEMBL4380973

SCHEMBL4380973

COc1cc(C(=O)O)ccc1OCCCl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
TPMT P51580 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
MRGPRX4 Q96LA9 1/20 0.62
TTR P02766 2/20 0.55
PLA2G4B P0C869 1/20 0.54
HTT P42858 2/20 0.54
PRSS1 P07477 2/20 0.54
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL986354 0.94 CA12 (0.67) TSHRCA12CA1CA2CA4
SCHEMBL1545237 0.94 TSHR (0.69) TSHRCA12CA1CA2CA4
SCHEMBL8085474 0.90 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL8122418 0.90 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL21614005 0.89 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL5492174 0.89 TSHR (0.76) TSHRCA12CA1CA2CA4
SCHEMBL4377830 0.88 CA12 (0.67) TSHRCA12CA1CA2CA4
SCHEMBL1544858 0.88 KMT2A (0.62) TSHRHTTPRSS1MAPK1
SCHEMBL1012123 0.86 MAPT (0.60) TSHRHTTPRSS1MAPTLMNA
SCHEMBL617974 0.86 TSHR (0.71) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 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 (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-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 TSHR 2706/4885CA12 1177/4885CA1 197/4885

“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.