SCHEMBL3096347

SCHEMBL3096347

COC(C)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.56
SLC6A4 P31645 4/20 0.46
DHFR P00374 2/20 0.44
HTR6 P50406 5/20 0.43
PDE1B Q01064 2/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PNMT P11086 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ACP3 P15309 1/20 0.41
CASR P41180 1/20 0.40
HSD17B2 P37059 1/20 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
SCHEMBL7901293 0.84 HDAC4 (0.41) AOC3HTR2B
SCHEMBL29671518 0.82 AOC3 (0.46) AOC3SLC6A4DHFRHTR6PDE1B
SCHEMBL6203322 0.81 AOC3 (0.53) AOC3SLC6A4PDE1BPNMTSLC6A2
SCHEMBL11395224 0.79 AOC3 (0.51) AOC3SLC6A4PDE1BPNMTSLC6A2
SCHEMBL24434518 0.79 AOC3 (0.44) AOC3SLC6A4DHFRHTR6HTR2C
SCHEMBL2601111 0.78 PNMT (0.47) AOC3SLC6A4PDE1BPNMTSLC6A2
SCHEMBL29428797 0.78 PGR (0.47) AOC3SLC6A4PNMTSLC6A2SLC6A3
SCHEMBL22964291 0.78 TSHR (0.40) AOC3
SCHEMBL22964350 0.78 TSHR (0.40) AOC3
SCHEMBL254476 0.78 PGR (0.47) AOC3SLC6A4PNMTSLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022197755-A1 IMIDAZOPYRIDINYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
US-8722942-B2 Method for producing biphenyl derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2014-05-13 US disclosed
EP-2075241-B1 METHOD FOR PRODUCING A BIPHENYL DERIVATIVE TORAY FINECHEMICALS CO LTD (JP) 2013-09-25 EP disclosed
US-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Hayashi, Tamio (JP) 2010-09-16 US disclosed
EP-2075241-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2009-07-01 EP disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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-20100230634-A1 METHOD FOR PRODUCING BIPHENYL DERIVATIVE CYP2E1, DDT, B2M AOC3 1215/4885SLC6A4 3842/4885DHFR 1595/4885

“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.