SCHEMBL1988784

SCHEMBL1988784

CC1(C(=O)O)COc2ccc(Cl)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
RIPK1 Q13546 1/20 0.38
NOTUM Q6P988 1/20 0.36
GRIK1 P39086 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2L11 O43521 2/20 0.36
MCL1 Q07820 2/20 0.36
AKR1B1 P15121 1/20 0.35
POLB P06746 1/20 0.35
SRD5A1 P18405 3/20 0.35
SRD5A2 P31213 3/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34

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
SCHEMBL1987212 0.78 HSD17B3 (0.36) MAPK1POLB
SCHEMBL19469461 0.76 PPARA (0.48) MAPK1NOTUMMCL1AKR1B1SRD5A1
SCHEMBL29495290 0.76 PPARA (0.48) MAPK1NOTUMMCL1AKR1B1SRD5A1
SCHEMBL29495503 0.76 PPARA (0.48) MAPK1NOTUMMCL1AKR1B1SRD5A1
SCHEMBL19469478 0.76 PPARA (0.48) MAPK1NOTUMMCL1AKR1B1SRD5A1
SCHEMBL19469463 0.76 PPARA (0.48) MAPK1NOTUMMCL1AKR1B1SRD5A1
SCHEMBL3518868 0.72 NPC1 (0.41) MAPK1NPC1RAB9ACASP3SENP7
SCHEMBL3518175 0.72 NPC1 (0.41) MAPK1NPC1RAB9ACASP3SENP7
SCHEMBL27188582 0.71 ALDH1A1 (0.36) MAPK1RAB9AMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10334239 0.71 NPC1 (0.40) MAPK1NPC1RAB9ACASP3SENP7

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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
EP-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 MAPK1 18/4885NPC1 3662/4885RAB9A 619/4885

“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.