SCHEMBL57139

SCHEMBL57139

CCc1cccc(C(C)(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.67
GABRB2 P47870 4/20 0.67
CA2 P00918 1/20 0.67
ATM Q13315 1/20 0.49
HSPA5 P11021 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IAPP P10997 2/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PTPN5 P54829 1/20 0.39

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
Propane SCHEMBL28225674 0.98 GABRA1 (0.64) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL2935552 0.87 CA2 (0.67) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL9577895 0.87 GABRA1 (0.67) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL7065972 0.86 CA2 (0.59) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL10706992 0.85 CA2 (0.64) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL56747 0.83 GABRA1 (0.61) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL27555820 0.83 CA2 (0.61) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL1274723 0.83 CA2 (0.61) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL9994746 0.83 CA2 (0.61) GABRA1GABRB2CA2ATMHSPA5
SCHEMBL3510896 0.83 CA2 (0.61) GABRA1GABRB2CA2ATMHSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119907820-A Isocyanate composition 韩华思路信(株) 2025-04-29 CN claimed
CN-119431112-A Method for separating multiple phenols from cresol containing 2, 6-xylenol 煤炭科学技术研究院有限公司 2025-02-14 CN claimed
CN-119059884-A Method for separating o-ethylphenol from m-cresol and p-cresol containing o-ethylphenol 盐城工学院 2024-12-03 CN claimed
CN-114316246-A Antioxidant and preparation method thereof 上海抚佳精细化工有限公司 2022-04-12 CN claimed
CN-114315529-A Preparation method of antioxidant 上海抚佳精细化工有限公司 2022-04-12 CN claimed
EP-3512896-A1 METHOD FOR REDUCING THE ALDEHYDE EMISSIONS OF POLYURETHANE FOAMS Covestro Deutschland AG (DE) 2019-07-24 EP claimed
CN-106046226-B A kind of double olefin copolymer and preparation method thereof 中国科学院长春应用化学研究所 2018-07-03 CN claimed
JP-59033367-A None JP disclosed
JP-59033366-A None JP disclosed
CN-120058484-A Method for separating phenol monomer from mixed phenol 煤炭科学技术研究院有限公司 2025-05-30 CN disclosed
CN-119490388-A Method for separating and obtaining phenolic substances from phenol-containing coal tar 煤炭科学技术研究院有限公司 2025-02-21 CN disclosed
CN-119431112-A Method for separating multiple phenols from cresol containing 2, 6-xylenol 煤炭科学技术研究院有限公司 2025-02-14 CN disclosed
CN-119059884-A Method for separating o-ethylphenol from m-cresol and p-cresol containing o-ethylphenol 盐城工学院 2024-12-03 CN disclosed
US-4523032-A 3,5-Dialkyl-4-hydroxyphenyl-substituted acetic acids THE B. F. GOODRICH COMPANY (US) 1985-06-11 US disclosed
EP-0141419-A1 3,5-Dialkyl-4-hydroxyphenyl-substituted derivatives The B.F. GOODRICH Company (US) 1985-05-15 EP disclosed
US-4475001-A Process for alkylating phenolic compounds to produce ortho- or para-monoalkylated phenols or 2,4- or 2,6-dialkylated phenols KOPPERS COMPANY, INC. (US) 1984-10-02 US disclosed
JP-S5933367-A STABLE UNDERWATER ANTIFOULING COATING YOSHITOMI PHARMACEUT IND LTD 1984-02-23 JP disclosed
JP-S5933366-A STABLE UNDERWATER ANTIFOULING COATING YOSHITOMI PHARMACEUT IND LTD 1984-02-23 JP disclosed
US-4211731-A Fluorene phosphonites and thiophosphonites as antioxidants for organic materials SANDOZ LTD. (CH) 1980-07-08 US disclosed
US-3932308-A FROM NICKEL ACETYLACETONATE, P-NONYLPHENOL, BUTYLLITHIUM UNIROYAL INC. (US) 1976-01-13 US disclosed