SCHEMBL10166445

SCHEMBL10166445

Cc1ccoc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
NQO1 P15559 1/20 0.35
POR P16435 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
TSHR P16473 3/20 0.35
ACHE P22303 2/20 0.35
PTPRC P08575 1/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL23566743 0.81 ACHE (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23567447 0.79 RAB9A (0.43) ALDH1A1TSHRACHEHPGDNPC1
SCHEMBL23567063 0.77 MAPK14 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23567448 0.76 NOTUM (0.42) ACHESMN1; SMN2LMNAESR2PTGS2
SCHEMBL28598860 0.76 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL20033983 0.74 GABRA1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23567051 0.74 NPC1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23567458 0.74 CA12 (0.44) ALDH1A1ACHEHPGDNPC1RAB9A
SCHEMBL887941 0.73 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14149760 0.73 NPC1 (0.48) ALDH1A1CYP2A6CYP2B6TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521531-B Olefin polymerization catalyst component, preparation method thereof, olefin polymerization catalyst and polymerization method 中国石油天然气股份有限公司 2022-12-02 CN claimed
CN-112521531-B Olefin polymerization catalyst component, preparation method thereof, olefin polymerization catalyst and polymerization method 中国石油天然气股份有限公司 2022-12-02 CN disclosed
US-20210186927-A1 COMBINATION PRODUCT FOR THE INDUCTION AND/OR MAINTENANCE OF GENERAL ANESTHESIA TERRAN BIOSCIENCES, INC. 2021-06-24 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110077265-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-03-31 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (6 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-20210186927-A1 COMBINATION PRODUCT FOR THE INDUCTION AND/OR MAINTENANCE OF GENERAL ANESTHESIA OPRK1, OPRD1, GABRD CHRM2 237/4885CHRM4 200/4885CHRM5 155/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 CHRM2 4464/4885CHRM4 4674/4885CHRM5 4548/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 CHRM2 4258/4885CHRM4 4561/4885CHRM5 4540/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 CHRM2 4464/4885CHRM4 4674/4885CHRM5 4548/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 CHRM2 4464/4885CHRM4 4674/4885CHRM5 4548/4885
US-20110077265-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC2 CHRM2 2604/4885CHRM4 4027/4885CHRM5 3740/4885

“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.