SCHEMBL377542

SCHEMBL377542

CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
POLB P06746 1/20 0.39
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
HMGCR P04035 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
FABP3 P05413 2/20 0.33
FABP4 P15090 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HTR1D P28221 1/20 0.33
FABP5 Q01469 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7085860 0.94 GABRA1 (0.42) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL16849153 0.89 GABRA1 (0.39) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL15723306 0.89 GABRA1 (0.39) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL16259555 0.89 GABRA1 (0.44) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL10199720 0.89 GABRA1 (0.39) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL26563718 0.85 RXRB (0.41) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL7082656 0.85 POLB (0.38) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL24143238 0.85 GABRA1 (0.37) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL15723309 0.85 GABRA1 (0.37) GABRA1GABRB2POLBCYP2D6CYP1A2
SCHEMBL16259685 0.85 PDE2A (0.44) GABRA1GABRB2POLBCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068405-B1 PYRROLO [1,2,F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2019-05-01 EP claimed
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
US-5567725-A ANTIDIABETIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
WO-1996026933-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1996-09-06 WO disclosed
WO-1996014314-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1996-05-17 WO disclosed
EP-0587088-B1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AG (DE) 1996-05-08 EP disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 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-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD GABRA1 899/4885GABRB2 460/4885POLB 2131/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 GABRA1 663/4885GABRB2 352/4885POLB 556/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 GABRA1 2605/4885GABRB2 1825/4885POLB 2923/4885

“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.