SCHEMBL477566

SCHEMBL477566

O[C@H](c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GMNN O75496 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
SCHEMBL477531 1.00 ACP3 (0.55) ACP3MEN1KMT2ACNR2LMNA
SCHEMBL424623 0.93 ACP3 (0.50) ACP3MEN1KMT2ALMNAADRB2
SCHEMBL11643856 0.91 PTPN5 (0.48) ACP3MEN1KMT2ACNR2ADRB3
SCHEMBL6002784 0.89 ACP3 (0.44) ACP3MEN1KMT2ACNR2LMNA
SCHEMBL20788381 0.84 ALDH1A1 (0.47) ACP3MEN1KMT2ACNR2LMNA
SCHEMBL14685882 0.84 CYP19A1 (0.46) ACP3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL30529079 0.84 ALDH1A1 (0.47) ACP3MEN1KMT2ACNR2LMNA
SCHEMBL6564479 0.84 OPRM1 (0.46) ACP3MEN1KMT2ATSHRSLC6A2
SCHEMBL30598700 0.84 SMN1; SMN2 (0.52) CNR2LMNATSHRSMN1; SMN2
SCHEMBL11605484 0.83 ACP3 (0.55) ACP3MEN1KMT2ALMNAADRB2

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 ACP3 790/4885MEN1 379/4885KMT2A 1166/4885

“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.