SCHEMBL6683963

SCHEMBL6683963

CCCCC(O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.52
GAA P10253 1/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
DRD3 P35462 2/20 0.40
ADRB2 P07550 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1A P08908 1/20 0.40
PTGER2 P43116 1/20 0.39
S1PR2 O95136 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
SCHEMBL24174177 1.00 AOC3 (0.52) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL4839687 0.94 AOC3 (0.47) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL23588163 0.94 AOC3 (0.50) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL9814079 0.92 AOC3 (0.49) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL6690160 0.89 AOC3 (0.53) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL9772894 0.89 AOC3 (0.53) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL9772644 0.89 AOC3 (0.53) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL11621719 0.89 AOC3 (0.46) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL6055426 0.85 KDM4E (0.44) SLC6A4KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11620920 0.84 AOC3 (0.49) AOC3GAASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
US-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2015-10-15 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
WO-1994018168-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-18 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 (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-20150291573-A1 ARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C AOC3 3447/4885GAA 1938/4885SLC6A2 420/4885

“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.