SCHEMBL10086178

SCHEMBL10086178

CN(C)c1ccc2oc(=O)cc(C(F)(F)F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.55
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
MCL1 Q07820 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HSD17B3 P37058 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
SRC P12931 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MAP2K1 Q02750 1/20 0.46

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
SCHEMBL194433 0.88 AR (0.70) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL30275399 0.88 AR (0.70) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL1771392 0.85 AR (0.59) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL1771048 0.83 AR (0.57) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL1771078 0.82 AR (0.80) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL6082303 0.79 MCL1 (0.50) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL1771522 0.79 AR (0.65) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL10086176 0.78 CYP1A2 (0.53) ARCYP1A1CYP1A2CYP1B1MCL1
SCHEMBL11694582 0.78 ALDH1A1 (0.57) CYP1A1CYP1A2CYP1B1MCL1ALDH1A1
SCHEMBL15842829 0.78 MCL1 (0.58) ARCYP1A1CYP1A2CYP1B1MCL1

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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS Cercacor Laboratories, Inc (US) 2014-05-08 US disclosed
US-8466286-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. (US) 2013-06-18 US disclosed
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS MASIMO LABORATORIES, INC. (US) 2012-03-01 US disclosed
US-8029765-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-10-04 US disclosed
US-8008088-B2 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors MASIMO LABORATORIES, INC. (US) 2011-08-30 US disclosed
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors MASIMO LABORATORIES, INC. (US) 2009-01-01 US disclosed
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors CERCACOR LABORATORIES, INC. 2007-05-17 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 (4 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-20140127137-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 AR 2392/4885CYP1A1 893/4885CYP1A2 1046/4885
US-20070110672-A1 SMMR (small molecule metabolite reporters) for use as in vivo glucose biosensors GCKR, SYMPK, SUCNR1 AR 2392/4885CYP1A1 893/4885CYP1A2 1046/4885
US-20120052018-A1 SMMR (SMALL MOLECULE METABOLITE REPORTERS) FOR USE AS IN VIVO GLUCOSE BIOSENSORS GCKR, SYMPK, SUCNR1 AR 2392/4885CYP1A1 893/4885CYP1A2 1046/4885
US-20090004108-A1 Smmr (Small Molecule Metabolite Reporters) For Use As In Vivo Glucose Biosensors GCKR, SYMPK, SUCNR1 AR 2392/4885CYP1A1 893/4885CYP1A2 1046/4885

“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.