SCHEMBL16038779

SCHEMBL16038779

Cc1cccc(C=CC(=O)O)c1OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 15/20 0.80
PTGER4 P35408 15/20 0.80
PTGER2 P43116 15/20 0.80
PTGER1 P34995 11/20 0.80
PTGDR Q13258 1/20 0.53
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL16038777 1.00 PTGER3 (0.80) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL16070265 1.00 PTGER3 (0.80) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7798336 0.85 PTGER3 (1.00) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7798340 0.85 PTGER3 (1.00) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL3114346 0.84 PTGER4 (0.74) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7805984 0.84 PTGER3 (0.60) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL7805980 0.84 PTGER3 (0.60) PTGER3PTGER4PTGER2PTGER1PTGDR
SCHEMBL3403036 0.84 PTGER4 (0.75) PTGER3PTGER4PTGER2PTGER1KDM4E
SCHEMBL3403038 0.84 PTGER4 (0.75) PTGER3PTGER4PTGER2PTGER1KDM4E
SCHEMBL7798442 0.84 PTGER2 (0.79) PTGER3PTGER4PTGER2PTGER1PTGDR

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
US-9713615-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS Ocuphire Pharma, Inc. 2016-05-19 US disclosed
EP-2970203-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS Rexahn Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-9193707-B2 Tetrahydroisoquinolin-2-yl-(quinazolin-4-yl)methanone compounds REXAHN PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
WO-2014143960-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL) METHANONE COMPOUNDS AS CANCER CELL GROWTH INHIBITORS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS REXAHN PHARMACEUTICALS, INC. (US) 2014-09-18 US 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-20140275129-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 PTGER3 1810/4885PTGER4 1493/4885PTGER2 1254/4885
US-20160136166-A1 TETRAHYDROISOQUINOLIN-2-YL-(QUINAZOLIN-4-YL)METHANONE COMPOUNDS HRAS, RECQL, CDK4 PTGER3 1810/4885PTGER4 1493/4885PTGER2 1254/4885

“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.