SCHEMBL477602

SCHEMBL477602

O[C@H](c1ccccc1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.53
IDO1 P14902 3/20 0.52
TDO2 P48775 3/20 0.52
IDO2 Q6ZQW0 2/20 0.52
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
AOC3 Q16853 1/20 0.43
HIF1A Q16665 3/20 0.42
TSHR P16473 3/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42

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 1.00 ACP3 (0.53) ACP3IDO1TDO2IDO2MAPT
SCHEMBL29609159 1.00 ACP3 (0.53) ACP3IDO1TDO2IDO2MAPT
SCHEMBL477580 1.00 ACP3 (0.53) ACP3IDO1TDO2IDO2MAPT
SCHEMBL11641801 0.88 ESR2 (0.46) ACP3IDO1TDO2IDO2MAPT
SCHEMBL4082510 0.87 TSHR (0.58) ACP3IDO1TDO2IDO2MAPT
SCHEMBL30986710 0.87 TSHR (0.58) ACP3IDO1TDO2IDO2MAPT
SCHEMBL29976363 0.85 ADRB2 (0.48) ACP3IDO1TDO2IDO2MAPT
SCHEMBL230382 0.85 ADRB2 (0.48) ACP3IDO1TDO2IDO2MAPT
SCHEMBL477355 0.85 IDO1 (0.54) ACP3IDO1TDO2IDO2MAPT
SCHEMBL5753910 0.84 IGF1R (0.43) ACP3IDO1TDO2IDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023047107-A1 ARYL OR HETEROARYL DERIVED COMPOUNDS FOR THE TREATMENTS OF MICROBIAL INFECTIONS THE UNIVERSITY OF DURHAM (GB) 2023-03-30 WO disclosed
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
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
US-7592487-B2 Chiral tertiary aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-09-22 US disclosed
EP-1727783-A4 CHIRAL TERTIARY AMINOALKYLNAPHTHOLS UNIV HONG KONG POLYTECHNIC (CN) 2008-03-19 EP disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
US-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-02-21 US disclosed
CN-1930116-A Chiral tertiary aminoalkylnaphthols UNIV HONG KONG POLYTECHNIC (HK) 2007-03-14 CN disclosed
EP-1727783-A1 CHIRAL TERTIARY AMINOALKYLNAPHTHOLS The Hong Kong Polytechnic University (CN) 2006-12-06 EP disclosed
WO-2005087707-A1 CHIRAL TERTIARY AMINOALKYLNAPHTHOLS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2005-09-22 WO 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 (2 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-20080045757-A1 Chiral Tertiary Aminoalkylnaphthols ALDH7A1, ADH5, ALDH1A1 ACP3 2390/4885IDO1 515/4885TDO2 268/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT ACP3 790/4885IDO1 4327/4885TDO2 1885/4885

“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.