SCHEMBL16974803

SCHEMBL16974803

C=CCC=CCCCCCCCc1cccc(O)c1

nearest known ligand 0.97

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CBS P35520 1/20 0.54
▸ OPRM1 P35372 4/20 0.50
▸ OPRD1 P41143 4/20 0.50
▸ OPRK1 P41145 4/20 0.50
▸ EP300 Q09472 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ KAT5 Q92993 1/20 0.50
▸ KAT8 Q9H7Z6 1/20 0.50
▸ MGLL Q99685 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ DRD2 P14416 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL18983162 1.00 CBS (0.54) CBSOPRM1OPRD1OPRK1EP300
SCHEMBL16984607 1.00 CBS (0.54) CBSOPRM1OPRD1OPRK1EP300
Cardanol SCHEMBL29350748 0.98 CBS (0.53) CBSOPRM1OPRD1OPRK1EP300
Cardanol SCHEMBL2687568 0.98 CBS (0.53) CBSOPRM1OPRD1OPRK1EP300
Cardanol SCHEMBL4173456 0.98 CBS (0.53) CBSOPRM1OPRD1OPRK1EP300
Cardanol SCHEMBL29973669 0.98 CBS (0.53) CBSOPRM1OPRD1OPRK1EP300
Cardanol SCHEMBL2290369 0.98 CBS (0.53) CBSOPRM1OPRD1OPRK1EP300
SCHEMBL18924990 0.94 EP300 (0.49) CBSOPRM1OPRD1OPRK1EP300
SCHEMBL22986526 0.92 CBS (0.56) CBSOPRM1OPRD1OPRK1MGLL
SCHEMBL30920963 0.91 CBS (0.51) CBSOPRM1OPRD1OPRK1EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099654-B1 SYNTHETIC METHOD UNIV COURT UNIV ST ANDREWS (GB) 2018-05-09 — — EP disclosed
US-9908826-B2 Synthetic method UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2018-03-06 — — US disclosed
US-20170174608-A1 Synthetic Method UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2017-06-22 — — US disclosed
EP-3099654-A1 SYNTHETIC METHOD University Court of The University of St Andrews (GB) 2016-12-07 — — EP disclosed
WO-2015114323-A1 SYNTHETIC METHOD UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2015-08-06 — — 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-20170174608-A1 Synthetic Method SQLE, FDFT1, CYP51A1 CBS 97/4885OPRM1 1566/4885OPRD1 1481/4885

“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.

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