SCHEMBL1733516

SCHEMBL1733516

O=C(CCc1ccc(N2CCCCC2)nc1)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
AOC3 Q16853 2/20 0.52
ME2 P23368 5/20 0.46
ME1 P48163 5/20 0.46
ME3 Q16798 5/20 0.46
ABCB1 P08183 9/20 0.43
CNR2 P34972 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
SCHEMBL1735467 0.99 CYP19A1 (0.53) CYP19A1AOC3ME2ME1ME3
SCHEMBL1732997 0.88 AOC3 (0.54) CYP19A1AOC3ME2ME1ME3
SCHEMBL4951237 0.76 CYP19A1 (0.61) CYP19A1
SCHEMBL3684699 0.73 AOC3 (0.54) AOC3ME2ME1ME3
SCHEMBL1734187 0.73 CYP19A1 (0.57) CYP19A1
SCHEMBL1841587 0.70 CYP19A1 (1.00) CYP19A1
SCHEMBL987818 0.70 AOC3 (0.55) AOC3CNR2
SCHEMBL3216381 0.70 CYP19A1 (0.60) CYP19A1
Dihydrochalcone SCHEMBL29359372 0.70 CYP19A1 (0.80) CYP19A1ABCB1
Dihydrochalcone SCHEMBL2827303 0.70 CYP19A1 (0.80) CYP19A1ABCB1

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 8 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-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
EP-2259689-B1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2011-11-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP19A1 3585/4885AOC3 402/4885ME2 1454/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 CYP19A1 3585/4885AOC3 402/4885ME2 1454/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CYP19A1 2441/4885AOC3 2554/4885ME2 1790/4885

“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.