SCHEMBL477355

SCHEMBL477355

OC(c1ccccc1)c1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
TDO2 P48775 3/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
PNMT P11086 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACP3 P15309 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
IDO2 Q6ZQW0 2/20 0.43
CACNA2D1 P54289 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNA1G O43497 1/20 0.43

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
SCHEMBL27793513 0.85 ACP3 (0.53) IDO1TDO2CYP3A4CYP2D6NFKB1
SCHEMBL477580 0.85 ACP3 (0.53) IDO1TDO2CYP3A4CYP2D6NFKB1
SCHEMBL477602 0.85 ACP3 (0.53) IDO1TDO2CYP3A4CYP2D6NFKB1
SCHEMBL29609159 0.85 ACP3 (0.53) IDO1TDO2CYP3A4CYP2D6NFKB1
SCHEMBL5742922 0.83 CYP2D6 (0.50) IDO1TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL7809671 0.78 MEN1 (0.63) LMNAMEN1KMT2AMAPTCYP2C9
SCHEMBL7540828 0.78 IDO1 (0.56) IDO1TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL8804684 0.77 SMN1; SMN2 (0.41) IDO1TDO2ALDH1A1LMNAACP3
SCHEMBL19856483 0.76 CYP1A2 (0.56) IDO1TDO2CYP1A2CYP3A4CYP2D6
SCHEMBL28905220 0.76 IDO1 (0.54) IDO1TDO2CYP1A2CYP3A4CYP2D6

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
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US 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

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 1885/4885CYP1A2 37/4885

“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.