SCHEMBL477552

SCHEMBL477552

O[C@@H](c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TDO2 P48775 2/20 0.54
HPGD P15428 1/20 0.51
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
CNR2 P34972 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44

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
SCHEMBL477379 1.00 IDO1 (0.54) IDO1TDO2HPGDSLC6A2SLC6A4
SCHEMBL477349 1.00 IDO1 (0.54) IDO1TDO2HPGDSLC6A2SLC6A4
SCHEMBL10439949 0.98 IDO1 (0.52) IDO1TDO2HPGDSLC6A2SLC6A4
SCHEMBL1426754 0.89 TSHR (0.50) IDO1TDO2HPGDTSHR
Diphenylmethanol SCHEMBL11366184 0.89 MEN1 (0.45) IDO1TDO2HPGDSLC6A2SLC6A4
SCHEMBL6075135 0.89 CYP1A2 (0.65) IDO1TDO2HPGDCNR2CYP1A2
SCHEMBL8671295 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TSHRCA12CA1CA2
SCHEMBL6874895 0.85 SLC6A2 (0.59) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL5161936 0.84 SRD5A2 (0.55) HPGDSMN1; SMN2TSHRMEN1KMT2A
Diphenylmethanol SCHEMBL10868602 0.84 SMN1; SMN2 (0.61) SMN1; SMN2TSHRCA12CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
CN-102336723-B Preparation method of L-chloperastine fendizoic acid CHONGQING WORLD HAORUI PHARM CHEM CO LTD 2013-06-12 CN disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
CN-102336723-A Preparation method of L-chloperastine fendizoic acid CHONGQING WORLD HAORUI PHARM CHEM CO LTD 2012-02-01 CN 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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT IDO1 4327/4885TDO2 1885/4885HPGD 568/4885

“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.