SCHEMBL12936623

SCHEMBL12936623

COc1ccccc1COC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.60
TAAR1 Q96RJ0 1/20 0.50
ABCB1 P08183 1/20 0.49
CHRM2 P08172 2/20 0.48
CHRM1 P11229 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL11243877 0.85 IDO1 (0.61) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL18504836 0.84 FFAR4 (0.44) IDO1ALDH1A1MAPTHPGDMEN1
SCHEMBL647871 0.83 IDO1 (0.38) IDO1ALDH1A1HPGDMEN1KMT2A
SCHEMBL13589868 0.80 BCHE (0.48) IDO1CHRM2CHRM1GRIN1GRIN2A
SCHEMBL11230270 0.79 IDO1 (0.55) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL11236282 0.79 IDO1 (0.55) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL12936617 0.79 TNF (0.42) IDO1GAASMN1; SMN2
SCHEMBL10151283 0.79 IDO1 (0.35) IDO1ALDH1A1ATML3MBTL1HTT
SCHEMBL26654 0.79 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL10607688 0.79 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1

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-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
EP-2884982-B1 SUBSTITUTED PHENYL SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-9353066-B2 Substituted phenyl-Spleen Tyrosine Kinase (Syk) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-08-20 US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885TAAR1 3330/4885ABCB1 4081/4885
US-20150232428-A1 SUBSTITUTED PHENYL-SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN IDO1 771/4885TAAR1 1840/4885ABCB1 811/4885
US-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK IDO1 2461/4885TAAR1 4173/4885ABCB1 2412/4885

“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.