SCHEMBL5528670

SCHEMBL5528670

CCc1cc(C=O)cc(Br)c1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.43
ALDH1A3 P47895 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ERN1 O75460 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH3A1 P30838 1/20 0.40
GAA P10253 1/20 0.38
PTP4A1 Q93096 1/20 0.38
LCK P06239 2/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL1858187 0.86 CYP1A2 (0.53) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3097280 0.82 ALDH1A1 (0.45) KDM4EALDH1A1ALDH1A3CYP1A2CYP2C9
SCHEMBL373244 0.81 ERN1 (0.52) KDM4EALDH1A1CYP3A4ERN1LCK
SCHEMBL1003056 0.80 KDM4E (0.61) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL398669 0.79 KDM4E (0.60) KDM4EALDH1A1MAPK1LMNA
SCHEMBL29985579 0.79 KDM4E (0.60) KDM4EALDH1A1MAPK1LMNA
SCHEMBL21358410 0.78 KDM4E (0.44) KDM4EALDH1A1ALDH1A3CYP1A2CYP3A4
SCHEMBL13306818 0.78 CYP1A2 (0.47) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL261351 0.78 PTGS1 (0.44) KDM4ECYP1A2CYP3A4CYP2C9ERN1
SCHEMBL8942444 0.78 ALOX5 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 US disclosed
US-7273886-B2 For therapy and prophylaxis of clotting disorders; useful for inhibiting serine protease enzymes, such as TF/factor VIIa, factor Xa, thrombin and kallikrein GENENTECH, INC. (US) 2007-09-25 US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 US disclosed
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-03-01 US disclosed
EP-1626966-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA Genentech, Inc. (US) 2006-02-22 EP disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
WO-2004113316-A1 BENZOFURAN INHIBITORS OF FACTOR VIIA GENENTECH, INC. (US) 2004-12-29 WO disclosed
US-20040235852-A1 Benzofuran inhibitors of factor VIIa GENENTECH, INC. 2004-11-25 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-20040235852-A1 Benzofuran inhibitors of factor VIIa TFPI, HABP2, SERPINE1 KDM4E 1398/4885ALDH1A1 604/4885ALDH1A3 3739/4885
US-20070049601-A1 BENZOFURAN INHIBITORS OF FACTOR VIIa TFPI, HABP2, F7 KDM4E 1225/4885ALDH1A1 941/4885ALDH1A3 3713/4885

“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.