SCHEMBL12430508

SCHEMBL12430508

O=C1CCCc2cccc(Cl)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PNMT P11086 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.41
AHR P35869 1/20 0.41
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL5836173 0.89 CYP2A6 (0.52) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL30253262 0.80 CYP1A2 (0.52) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL9672282 0.80 CYP1A2 (0.52) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL29760433 0.80 ADRA2A (0.59) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL197239 0.80 ADRA2A (0.59) ADRA2AADRA2BADRA2CCYP2D6ADRA1D
SCHEMBL12430498 0.78 BCL2L1 (0.41) CYP2A6CYP1A2BCL2L1BADMAOA
SCHEMBL12430505 0.78 CYP2A6 (0.39) CYP2A6CYP1A2BCL2L1BADMAOA
SCHEMBL12430504 0.78 L3MBTL1 (0.40) ADRA2ACYP2A6CYP1A2BCL2L1BAD
SCHEMBL14419537 0.78 MEN1 (0.40) CYP2A6CYP1A2BCL2L1BADMAOA
SCHEMBL4601564 0.77 CYP2A6 (0.52) ADRA2AADRA2BADRA2CCYP2D6ADRA1D

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
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 EP 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 ADRA2A 1669/4885ADRA2B 1159/4885ADRA2C 541/4885

“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.