SCHEMBL4629150

SCHEMBL4629150

COc1ccc2c(c1)C(=O)OCc1ccccc1-2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 2/20 0.68
KDM4E B2RXH2 1/20 0.68
NPC1 O15118 1/20 0.68
GAA P10253 1/20 0.68
HPGD P15428 1/20 0.68
ALOX12 P18054 1/20 0.68
RAB9A P51151 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
MAOA P21397 8/20 0.56
MAOB P27338 8/20 0.56
PRF1 P14222 1/20 0.51
PPIA P62937 1/20 0.49
CYP3A4 P08684 1/20 0.47
PPIB P23284 1/20 0.47
ALOX5 P09917 2/20 0.46
MAPK14 Q16539 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
SCHEMBL29853706 0.91 MAPT (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL26767260 0.91 MAPT (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL30080967 0.85 KDM4E (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL2315303 0.85 KDM4E (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL26767982 0.85 PRF1 (0.52) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL25386546 0.84 KDM4E (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL31442244 0.84 KDM4E (0.58) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL26779018 0.84 MAPT (0.65) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL26767992 0.82 PRF1 (0.52) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL6661823 0.82 PRF1 (0.65) ALDH1A1SMN1; SMN2MAPTKDM4ENPC1

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
EP-1633716-A4 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-26 EP disclosed
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US disclosed
EP-1633716-A2 BIARYLMETHYL INDOLINES, INDOLES AND TETRAHYDROQUINOLINES, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-15 EP disclosed
WO-2004094372-A2 COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 WO disclosed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 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 (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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 ALDH1A1 2594/4885SMN1; SMN2 4762/4885MAPT 3408/4885

“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.