SCHEMBL12430503

SCHEMBL12430503

O=C1CCCCc2cccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
CYP2A6 P11509 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDE4B Q07343 3/20 0.42
PDE4D Q08499 2/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
CES1 P23141 2/20 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
SCHEMBL1339630 0.96 MAOA (0.48) SRD5A1CYP2A6MAOAMAOBPDE4B
SCHEMBL192783 0.88 SRD5A1 (0.53) SRD5A1CYP2A6PDE4BPDE4DL3MBTL1
SCHEMBL31722364 0.77 SRD5A1 (0.47) SRD5A1CYP2A6MAOAMAOBCA1
SCHEMBL12430518 0.76 MAOA (0.44) CYP2A6MAOAMAOBTSHRBCL2L1
SCHEMBL11610848 0.76 TBXA2R (0.45) CYP2A6MAOAMAOBTSHRBCL2L1
SCHEMBL11081985 0.76 BCL2L1 (0.53) CYP2A6MAOAMAOBTSHRL3MBTL1
SCHEMBL12430502 0.76 DYRK1A (0.46) CYP2A6MAOAMAOBTSHRCES1
SCHEMBL27973813 0.75 SRD5A1 (0.52) SRD5A1PDE4BPDE4DTSHRCA1
SCHEMBL5537592 0.73 MAOA (0.50) CYP2A6MAOAMAOBTSHRBCL2L1
SCHEMBL11608618 0.73 CYP2A6 (0.41) CYP2A6MAOAMAOBTSHRBCL2L1

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 SRD5A1 19/4885CYP2A6 1034/4885MAOA 2342/4885

“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.