SCHEMBL8750550

SCHEMBL8750550

CCOC(C)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
CHRNA7 P36544 1/20 0.38
ACHE P22303 3/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
CASR P41180 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
STAT3 P40763 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1338718 0.91 LMNA (0.43) ACHETDP1LMNABCHEPTGS2
SCHEMBL18253207 0.84 EPHX1 (0.44) ACHELMNASMN1; SMN2HTTBCHE
SCHEMBL9069284 0.83 CHRNA7 (0.40) CHRNA7ACHETDP1LMNACASR
SCHEMBL18722667 0.80 SLC6A2 (0.50) FFAR1TDP1LMNASMN1; SMN2MEN1
SCHEMBL10230188 0.80 CHRM2 (0.39) ACHELMNAGAAMEN1KMT2A
SCHEMBL2219321 0.80 ESR1 (0.50) TDP1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL7388807 0.80 LMNA (0.35) ACHELMNABCHEPTGS2
SCHEMBL13662055 0.80 TSHR (0.47) TDP1LMNAALDH1A1
SCHEMBL21949745 0.80 TDP1 (0.45) ACHETDP1LMNAGAAHTT
SCHEMBL9069754 0.79 MAPT (0.39) SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271361-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL MYERS SQUIBB CO (US) 2020-04-22 EP disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-9512070-B2 Method for producing compound containing BIS (perfluoroalkylsulfonyl) methyl group and salt thereof, and solid electrolyte membrane produced using same CENTRAL GLASS COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
WO-2016149437-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 WO disclosed
US-20150266816-A1 Method for Producing Compound Containing BIS (Perfluoroalkylsulfonyl) Methyl Group and Salt Thereof, and Solid Electrolyte Membrane Produced Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-09-24 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 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 FFAR1 4230/4885CHRNA7 4734/4885ACHE 3550/4885
US-20150266816-A1 Method for Producing Compound Containing BIS (Perfluoroalkylsulfonyl) Methyl Group and Salt Thereof, and Solid Electrolyte Membrane Produced Using Same PFAS, FRK, AFF4 FFAR1 37/4885CHRNA7 2579/4885ACHE 4373/4885

“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.