SCHEMBL12438211

SCHEMBL12438211

S=c1nc(Oc2ccccc2)cc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCAT2 O15382 1/20 0.38
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL1513623 0.78 ADORA2A (0.46) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL2521152 0.73 LTA4H (0.58) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL207642 0.70 HAO1 (0.53) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL8751962 0.68 XDH (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL7620872 0.67 MEN1 (0.48) ALDH1A1CYP1A2MAPK1NPC1RAB9A
SCHEMBL11793141 0.67 LTA4H (0.37) ALDH1A1LTA4HTSHRKMT2AMAPT
SCHEMBL16511926 0.66 F2 (0.48) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL16511924 0.66 MAP4K4 (0.54) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL4272018 0.65 HAO1 (0.44) HAO1HTTALDH1A1LTA4HTSHR
SCHEMBL4268518 0.65 LTA4H (0.60) HAO1HTTALDH1A1LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709737-B2 Bitter taste receptors Deutsches Institut für Ernährungsforschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2014-04-29 US disclosed
US-8709737-B2 Bitter taste receptors Deutsches Institut für Ernährungsforschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2014-04-29 US disclosed
US-20110177085-A1 Bitter Taste Receptors DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG, STIFTUNG DES OEFFENTLICHEN RECHTS, VERTRETEN DURCH DEN STIFTUNGSVORSTAND (DE) 2011-07-21 US disclosed
US-20110177085-A1 Bitter Taste Receptors DEUTSCHES INSTITUT FUER ERNAEHRUNGSFORSCHUNG, STIFTUNG DES OEFFENTLICHEN RECHTS, VERTRETEN DURCH DEN STIFTUNGSVORSTAND (DE) 2011-07-21 US disclosed
US-7955808-B2 Bitter taste receptors Deutsches Institut für Ernährungsorschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2011-06-07 US disclosed
US-7955808-B2 Bitter taste receptors Deutsches Institut für Ernährungsorschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2011-06-07 US disclosed
US-20080287364-A1 Bitter Taste Receptors BUFE BERND 2008-11-20 US disclosed
US-20080287364-A1 Bitter Taste Receptors BUFE BERND 2008-11-20 US disclosed
US-7413867-B2 Method for the identification of antagonists of a phenylthiocarbamide/bitter taste receptor Deutsches Institut für Ernährungsforschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2008-08-19 US disclosed
US-7413867-B2 Method for the identification of antagonists of a phenylthiocarbamide/bitter taste receptor Deutsches Institut für Ernährungsforschung, Stiftung des öffentlichen Rechts, Vertreten durch den Stiftungsvorstand (DE) 2008-08-19 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 (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-20080287364-A1 Bitter Taste Receptors TAS2R30, TAS2R50, TAS2R10 HAO1 3470/4885HTT 2401/4885ALDH1A1 2508/4885
US-20110177085-A1 Bitter Taste Receptors TAS2R30, TAS2R50, TAS2R10 HAO1 3470/4885HTT 2401/4885ALDH1A1 2508/4885

“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.