SCHEMBL1734188

SCHEMBL1734188

COCOc1ccc(C(O)CCc2ccc(OC)nc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ADRB3 P13945 2/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ APLNR P35414 1/20 0.32

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
SCHEMBL3411798 0.78 TYR (0.36) ADRB3HSD17B1HSD17B2
SCHEMBL1733618 0.76 NPC1 (0.47) DAO
SCHEMBL3413575 0.76 OXTR (0.37) ACACBADRB3HSD17B1HSD17B2
SCHEMBL2978394 0.73 CALM1 (0.51) —
SCHEMBL23043090 0.69 TRPA1 (0.47) —
SCHEMBL3602439 0.69 CHRNB2 (0.47) —
SCHEMBL30639497 0.69 CHRNB2 (0.47) —
SCHEMBL1853092 0.68 AKR1B1 (0.48) —
SCHEMBL30576431 0.68 AKR1B1 (0.48) —
SCHEMBL3435210 0.68 ESR1 (0.68) DAO

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
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 — — US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
EP-2259689-B1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2011-11-16 — — EP disclosed
EP-2259689-A1 FLAVOR MOLECULES Givaudan SA (CH) 2010-12-15 — — EP disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 — — US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 — — US disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 — — 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-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 DAO 2524/4885ACACB 1562/4885ADRB3 1903/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 DAO 2524/4885ACACB 1562/4885ADRB3 1903/4885

“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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