SCHEMBL125906

SCHEMBL125906

CC(C)(C)c1[c]cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4493452 0.85 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL7752087 0.81 ALDH1A1 (0.38) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL23004 0.76 CA2 (0.41) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL1864344 0.76 GABRA1 (0.35) TSHRGABRA1GABRB2
SCHEMBL12817470 0.76 CA2 (0.37) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL10927467 0.74 CA2 (0.39) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL4057050 0.74 CA2 (0.50) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL3596578 0.74 CYP3A4 (0.39) TSHRTDP1
SCHEMBL11014097 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3109144 0.74 LMNA (0.33) TSHR

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 1841 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024613-B2 Composition containing a polymer and an additive École Polytechnique Fédérale De Lausanne (EPFL)—Technology Transfer Office (TTO) (CH) 2024-07-02 US claimed
CN-118239970-A Boron nitride compound, organic electroluminescent device and application 浙江华显光电科技有限公司 2024-06-25 CN claimed
CN-118234704-A Method for producing alkyl acrylate dimer 法国特种经营公司 2024-06-21 CN claimed
CN-117946146-B Boron-nitrogen compound containing imidazole and derivative group, organic electroluminescent device and application 浙江华显光电科技有限公司 2024-06-18 CN claimed
CN-118159546-A Bis-aminophosphines as catalysts for dimerization of alkyl acrylates 法国特种经营公司 2024-06-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117946146-A Boron-nitrogen compound containing imidazole and derivative group, organic electroluminescent device and application 浙江华显光电科技有限公司 2024-04-30 CN claimed
CN-117831652-A Prediction method of olefin hydroformylation positive-to-negative ratio 上海华谊控股集团有限公司 2024-04-05 CN claimed
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN claimed
CN-114206886-B Gold (III) compound, method for preparing the same, and organic light emitting device using the same 广东聚华印刷显示技术有限公司 2024-02-27 CN claimed
EP-0121852-B1 ACID-RESISTANT PHOSPHATE ESTER FUNCTIONAL FLUIDS STAUFFER CHEMICAL COMPANY (US) 1988-07-27 EP claimed
EP-0121852-A2 Acid-resistant phosphate ester functional fluids STAUFFER CHEMICAL COMPANY (US) 1984-10-17 EP claimed
US-4461713-A WITH N-ALKYLPYRROLIDONE, EPOXIDE, AND A TRIAZOLE STAUFFER CHEMICAL COMPANY (US) 1984-07-24 US claimed
US-4433116-A AND HEATING ALLIED CORPORATION (US) 1984-02-21 US claimed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
US-4134877-A Flame retardant phosphoramidate compositions MONSANTO COMPANY (US) 1979-01-16 US claimed
US-4087386-A LUBRICANTS, HYDRAULIC FLUIDS, TERT-BUTYLPHENYL/PHENYL PHOSPHATE FMC CORPORATION (US) 1978-05-02 US claimed
US-3992309-A LUBRICANTS AND HYDRAULIC FLUIDS FMC CORPORATION (US) 1976-11-16 US claimed
US-3932413-A Process for the preparation of 4'-alkoxy-4-naphthalimido-pyrazolium compounds and intermediates therefor PRODUCTS CHIMIQUES UGINE KUHLMANN (FR) 1976-01-13 US claimed
US-3931023-A LUBRICANT FMC CORPORATION (US) 1976-01-06 US claimed