SCHEMBL1984035

SCHEMBL1984035

CCOC(=O)C1(C)COc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
GLA P06280 2/20 0.42
ATM Q13315 1/20 0.40
OPRM1 P35372 4/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 3/20 0.39
RECQL P46063 3/20 0.39
GRM1 Q13255 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL21142455 0.82 BRD4 (0.68) BRD4ALDH1A1MAPTOPRM1OPRD1
SCHEMBL1987212 0.79 HSD17B3 (0.36) BRD4TSHRLMNAPOLBALOX15
SCHEMBL30726842 0.77 BRD4 (0.49) BRD4ALDH1A1MAPTGLAOPRM1
SCHEMBL28799391 0.75 BRD4 (0.50) BRD4ALDH1A1MAPTGLAOPRM1
SCHEMBL1991148 0.71 ALDH1A1 (0.47) BRD4ALDH1A1MAPTGLAATM
SCHEMBL7301462 0.71 BRD4 (0.54) BRD4ALDH1A1MAPTOPRM1OPRD1
SCHEMBL663919 0.71 ATM (0.50) BRD4ALDH1A1MAPTATMOPRM1
SCHEMBL18151325 0.70 ATM (0.41) ALDH1A1MAPTGLAATMOPRM1
SCHEMBL17158344 0.70 BRD4 (0.76) BRD4ALDH1A1MAPTOPRM1OPRD1
SCHEMBL20988409 0.70 BRD4 (0.42) BRD4ALDH1A1MAPTGLAATM

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 3 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
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

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 BRD4 1641/4885ALDH1A1 1516/4885MAPT 3442/4885

“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.