SCHEMBL803441

SCHEMBL803441

Cc1cccc(F)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
HDAC4 P56524 1/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KAT6A Q92794 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NFE2L2 Q16236 2/20 0.31

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
SCHEMBL24105727 0.86 ACHE (0.50) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL79047 0.85 ACHE (0.39) ACHEGABRA1GABRB2CA2GAA
SCHEMBL22989913 0.84 ACHE (0.48) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL3668657 0.82 ACHE (0.46) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL8387574 0.82 GABRA1 (0.48) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL2687017 0.82 GABRA1 (0.48) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL4553968 0.81 ACHE (0.50) ACHECYP2A6CYP1A2TRPA1ATM
SCHEMBL22024000 0.80 ACHE (0.44) ACHEGABRA1GABRB2CYP2A6CYP1A2
SCHEMBL2492055 0.79 TRPA1 (0.44) ACHEGABRA1GABRB2TRPA1ATM
SCHEMBL17552748 0.79 ACHE (0.43) ACHEGABRA1GABRB2CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-8008499-B2 Anabaseine derivatives, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-08-30 US disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US disclosed
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutic, Inc. (US) 2010-12-09 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-20080269321-A1 Therapeutic Combinations for the Treatment or Prevention of Depression WYETH (US) 2008-10-30 US disclosed
US-7396857-B2 Therapeutic combinations for the treatment or prevention of depression WYETH (US) 2008-07-08 US disclosed
US-20070225334-A1 Methods for treating cognitive and other disorders WYETH (US) 2007-09-27 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (14 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ACHE 3019/4885GABRA1 4063/4885GABRB2 3164/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS ACHE 4146/4885GABRA1 3460/4885GABRB2 3188/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 ACHE 716/4885GABRA1 4382/4885GABRB2 4224/4885
US-20070225334-A1 Methods for treating cognitive and other disorders CHAT, COMT, ACHE ACHE 3/4885GABRA1 159/4885GABRB2 118/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ACHE 2837/4885GABRA1 51/4885GABRB2 74/4885
US-20080269321-A1 Therapeutic Combinations for the Treatment or Prevention of Depression GRIN3A, GRIN2A, BDNF ACHE 778/4885GABRA1 277/4885GABRB2 155/4885
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ACHE 2672/4885GABRA1 394/4885GABRB2 183/4885
US-20100311773-A1 NOVEL ANABASEINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA10, CHRNA5 ACHE 16/4885GABRA1 1422/4885GABRB2 569/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 ACHE 716/4885GABRA1 4382/4885GABRB2 4224/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 ACHE 3736/4885GABRA1 2133/4885GABRB2 2397/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 ACHE 716/4885GABRA1 4382/4885GABRB2 4224/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ACHE 3695/4885GABRA1 1992/4885GABRB2 840/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 ACHE 1198/4885GABRA1 3933/4885GABRB2 4086/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ACHE 4793/4885GABRA1 250/4885GABRB2 449/4885

“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.