SCHEMBL12430509

SCHEMBL12430509

O=C1CCCc2cc(Cl)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
METAP1 P53582 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 2/20 0.42
CMA1 P23946 1/20 0.42
CYP2A6 P11509 1/20 0.41
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
KDM1A O60341 2/20 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
SCHEMBL5143608 0.92 HTR2A (0.46) HTR2AHTR2CHTR2BMETAP1ALDH1A1
SCHEMBL23188936 0.88 HTR2A (0.53) HTR2AHTR2CHTR2BMETAP1ALDH1A1
SCHEMBL588130 0.88 CYP2A6 (0.54) HTR2AHTR2CHTR2BMETAP1KMT2A
SCHEMBL1800067 0.81 METAP1 (0.52) HTR2AHTR2CHTR2BMETAP1AHR
Pyrrolidine SCHEMBL10564943 0.81 HTR2C (0.56) HTR2AHTR2CHTR2BMETAP1AHR
SCHEMBL30218134 0.81 HTR2A (0.64) HTR2AHTR2CHTR2BMETAP1ALDH1A1
SCHEMBL5221227 0.81 HTR2A (0.64) HTR2AHTR2CHTR2BMETAP1ALDH1A1
SCHEMBL30748374 0.80 CYP2A6 (0.54) HTR2AHTR2CHTR2BMETAP1KMT2A
SCHEMBL3269917 0.80 CYP2A6 (0.54) HTR2AHTR2CHTR2BMETAP1KMT2A
SCHEMBL12430519 0.77 CYP2A6 (0.41) ALDH1A1MEN1KMT2ACYP2A6CYP1A2

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 HTR2A 4038/4885HTR2C 2302/4885HTR2B 2976/4885

“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.