SCHEMBL8750643

SCHEMBL8750643

COCc1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.40
MAOA P21397 1/20 0.39
DYRK1A Q13627 1/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PDK2 Q15119 1/20 0.37
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL20897164 0.84 PDK2 (0.42) LMNATP53MAOADYRK1ACA2
SCHEMBL7060861 0.83 TSHR (0.40) NPC1RAB9ALMNAMAPTL3MBTL1
SCHEMBL9505730 0.82 LMNA (0.41) LMNAMAPTL3MBTL1TP53MAOA
SCHEMBL4677534 0.80 TSHR (0.43) LMNAMAPTTP53CA2ALDH1A1
SCHEMBL11699485 0.80 ALDH1A1 (0.46) LMNAMAPTTP53MAOADYRK1A
SCHEMBL13938660 0.80 CRHBP (0.50) MAPTMAOACA2ALDH1A1HTT
SCHEMBL8251591 0.80 DAO (0.41) LMNATP53MAOADYRK1ACA2
SCHEMBL13696431 0.80 IDO1 (0.44) LMNAMAPTTP53MAOADYRK1A
SCHEMBL18713938 0.80 SKP2 (0.53) LMNAMAPTTP53MAOADYRK1A
SCHEMBL6498883 0.80 ALDH1A1 (0.44) NPC1RAB9ALMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
EP-3309614-B1 RADIATION SENSITIVE COMPOSITION NISSAN CHEMICAL CORP (JP) 2021-11-10 EP disclosed
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 US disclosed
WO-2017155910-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2017-09-14 WO disclosed
US-9603838-B2 RORgammaT inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-20150297566-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2015-10-22 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
CN-1016432-B Salicylic acid copolymer and method for preparing metal salt thereof MITSUI TOATSU CHEMICAIS INC (JP) 1992-04-29 CN 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
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-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA NPC1 1714/4885RAB9A 1522/4885LMNA 4116/4885
US-20150297566-A1 RORgammaT INHIBITORS RORB, RORC, RORA NPC1 668/4885RAB9A 836/4885LMNA 4329/4885
US-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA NPC1 616/4885RAB9A 710/4885LMNA 4532/4885

“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.