SCHEMBL307912

SCHEMBL307912

COc1ccc(C(=O)CNCc2cccc(C(=O)O)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MEP1B Q16820 1/20 0.55
ROCK2 O75116 4/20 0.55
FABP4 P15090 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL11100548 0.89 ALDH1A1 (0.58) CA12CA1CA2CA4CA6
SCHEMBL11258821 0.83 SMN1; SMN2 (0.57) NPC1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL305398 0.82 ROCK2 (0.78) ROCK2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27891607 0.78 HDAC1 (0.55) NR1H4
SCHEMBL11437720 0.77 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17694653 0.77 CTNNB1 (0.62) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL114848 0.75 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.75 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL29386353 0.75 CA12 (1.00) CA12CA1CA2CA4CA6
SCHEMBL28881824 0.74 MEN1 (0.71) CA12CA1CA2CA4CA6

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-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 CA12 4869/4885CA1 4783/4885CA2 3109/4885

“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.