SCHEMBL6580274

SCHEMBL6580274

CC(C)c1cccc(C(=O)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
MDM4 O15151 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CA5A P35218 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
SCHEMBL4227994 0.85 TP53BP1 (0.48) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL9963709 0.84 HDAC4 (0.53) MAPTSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL11744047 0.84 GSK3B (0.52) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL18552569 0.84 TP53BP1 (0.47) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL6572573 0.82 HPGD (0.46) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL4595838 0.82 MAPT (0.59) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL6916487 0.80 FABP3 (0.41) TP53BP1RXRARXRBRXRGSMN1; SMN2
SCHEMBL11756980 0.80 MAPT (0.65) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL18300779 0.80 ERCC5 (0.59) TP53BP1RXRARXRBRXRGMAPT
SCHEMBL10172211 0.80 HSD17B3 (0.49) TP53BP1RXRARXRBRXRGMAPT

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-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 TP53BP1 2619/4885RXRA 1411/4885RXRB 1878/4885

“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.