SCHEMBL8750439

SCHEMBL8750439

COC(C)c1ccc(C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TYR P14679 2/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.36
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 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
SCHEMBL1338710 0.91 AKR1C2 (0.42) IDO1TYRAKR1C2AKR1C1L3MBTL1
SCHEMBL31508194 0.84 TDP1 (0.44) IDO1AKR1C2AKR1C1HTTL3MBTL1
SCHEMBL15854056 0.84 ADRB2 (0.52) IDO1AKR1C2AKR1C1HPGDL3MBTL1
SCHEMBL13450978 0.84 TDP1 (0.44) IDO1AKR1C2AKR1C1HTTL3MBTL1
SCHEMBL4921245 0.84 TDP1 (0.44) IDO1AKR1C2AKR1C1HTTL3MBTL1
SCHEMBL3086072 0.84 ADRB2 (0.52) IDO1AKR1C2AKR1C1HPGDL3MBTL1
SCHEMBL17771762 0.84 ADRB2 (0.52) IDO1AKR1C2AKR1C1HPGDL3MBTL1
SCHEMBL18905322 0.81 AKR1C2 (0.38) AKR1C2AKR1C1
SCHEMBL4518522 0.81 AKR1C2 (0.38) AKR1C2AKR1C1
SCHEMBL14615251 0.81 CHRNA7 (0.42) AKR1C2AKR1C1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
EP-2956459-B1 SUBSTITUTED PHENYL-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2017-07-19 EP disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-9233981-B1 Substituted phenyl hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2016-01-12 US disclosed
US-20150376207-A1 Substituted Phenyl Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-12-31 US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP 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-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN IDO1 592/4885TYR 48/4885AKR1C2 2455/4885
US-20150376207-A1 Substituted Phenyl Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds TH, QDPR, TBXA2R IDO1 337/4885TYR 35/4885AKR1C2 512/4885

“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.