SCHEMBL608019

SCHEMBL608019

CCc1ccc(CCl)c(CC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
DHFR P00374 1/20 0.38
BACE1 P56817 1/20 0.37
MGLL Q99685 1/20 0.36
NLRP1 Q9C000 1/20 0.35
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL608321 0.91 AKT1 (0.41) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL444673 0.85 TRPA1 (0.48) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL606254 0.84 DHFR (0.42) AKT1TRPA1MAPK1LMNADHFR
SCHEMBL5050079 0.81 TRPA1 (0.44) AKT1TRPA1CYP1A2CYP2A6MAPK1
Ethylene SCHEMBL27875997 0.81 TRPA1 (0.44) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL8384809 0.79 TRPA1 (0.43) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL22538753 0.78 TRPA1 (0.39) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL606251 0.77 TRPA1 (0.46) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL15591097 0.77 BACE1 (0.46) AKT1TRPA1CYP1A2CYP2A6MAPK1
SCHEMBL11791277 0.77 TRPA1 (0.41) AKT1TRPA1CYP1A2CYP2A6MAPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 US disclosed
EP-2470020-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME The Regents of the University of Michigan (US) 2012-07-04 EP disclosed
US-8188072-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-29 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
EP-0361040-B1 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS (JP) 1994-12-07 EP disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN disclosed
US-5028581-A Odorless multi-valent metal modified products of salicyclic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-07-02 US 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
CN-1051368-A Salicylic acid copolymers and its metal-salt and preparation method thereof contain the developer of this metal salts of copolymers and the colour developing paper of this developer of employing MITSUI TOATSU CHEMICALS (JP) 1991-05-15 CN disclosed
EP-0361040-A2 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-04 EP disclosed
CN-1040377-A Polyvalent metal modification odorlessness product manufacture method of salicylic acid copolymers and uses thereof MITSUI TOATSU CHEMICALS (JP) 1990-03-14 CN disclosed
CN-87107802-A Salicylic acid copolymer and metal salt thereof, process for producing the same, color-developing agent containing the copolymer metal salt, and color-developing paper using the color-developing agent 1988-08-10 CN 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 (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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB AKT1 2868/4885TRPA1 151/4885CYP1A2 79/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB AKT1 2868/4885TRPA1 151/4885CYP1A2 79/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC AKT1 3085/4885TRPA1 2696/4885CYP1A2 106/4885

“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.