SCHEMBL12667208

SCHEMBL12667208

C/C1=C\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)C2CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 12/20 1.00
TAS2R31 P59538 2/20 1.00
TAS2R10 Q9NYW0 2/20 1.00
RECQL P46063 2/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TERT O14746 1/20 0.39
PKM P14618 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
SCHEMBL4087405 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL14668231 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL13845782 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL14668230 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL13849508 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL15095950 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL309410 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL13849638 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL13845748 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1
SCHEMBL15257507 0.81 TAS2R46 (0.82) TAS2R46TAS2R31TAS2R10RECQLMEN1

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
US-8673578-B2 Methods of identifying antagonists of the hTAS2R46 bitter taste receptor Deutsches Institut für Ernahrungsforschung Potsdam-Rehbrücke (DE) 2014-03-18 US disclosed
US-8673578-B2 Methods of identifying antagonists of the hTAS2R46 bitter taste receptor Deutsches Institut für Ernahrungsforschung Potsdam-Rehbrücke (DE) 2014-03-18 US disclosed
US-20120283324-A1 ANTAGONISTS AND AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUR EMAHRUNGSFORSCHUNG POTSDAM-REHBRUCKE (DE) 2012-11-08 US disclosed
US-20120283324-A1 ANTAGONISTS AND AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FUR EMAHRUNGSFORSCHUNG POTSDAM-REHBRUCKE (DE) 2012-11-08 US disclosed
WO-2011050955-A1 ANTAGONISTS AND AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF DEUTSCHES INSTITUT FÜR ERNÄHRUNGSFORSCHUNG POTSDAM-REHBRÜCKE (DE) 2011-05-05 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-20120283324-A1 ANTAGONISTS AND AGONISTS OF BITTER TASTE RECEPTORS AND USES THEREOF TAS2R40, TAS2R50, TAS2R30 TAS2R46 10/4885TAS2R31 8/4885TAS2R10 18/4885

“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.