SCHEMBL12430504

SCHEMBL12430504

O=C1CCCc2cccc(F)c2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
CYP2A6 P11509 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
MAPT P10636 1/20 0.34
SRD5A1 P18405 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1871985 0.89 CYP2A6 (0.52) L3MBTL1CYP2A6DRD2DRD3CYP1A2
SCHEMBL30406729 0.80 CYP1A2 (0.52) L3MBTL1CYP2A6DRD2DRD3MAOA
SCHEMBL11430501 0.80 CYP1A2 (0.52) L3MBTL1CYP2A6DRD2DRD3MAOA
SCHEMBL30406611 0.80 DRD2 (0.50) L3MBTL1DRD2DRD3BCL2L1BAD
SCHEMBL542749 0.80 DRD2 (0.50) L3MBTL1DRD2DRD3BCL2L1BAD
SCHEMBL20977983 0.78 HTR2C (0.41) L3MBTL1DRD2DRD3ADRA2AMAPT
SCHEMBL12430505 0.78 CYP2A6 (0.39) CYP2A6BCL2L1BADMAOAMAOB
SCHEMBL12430508 0.78 ADRA2A (0.44) CYP2A6BCL2L1BADMAOAMAOB
SCHEMBL12430498 0.78 BCL2L1 (0.41) CYP2A6BCL2L1BADMAOAMAOB
SCHEMBL14419537 0.78 MEN1 (0.40) CYP2A6BCL2L1BADMAOAMAOB

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 L3MBTL1 3952/4885CYP2A6 1034/4885DRD2 223/4885

“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.