SCHEMBL6033258

SCHEMBL6033258

COCOc1c(Br)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.32
RXRA P19793 4/20 0.32
PPARG P37231 4/20 0.32
RARG P13631 3/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 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
SCHEMBL23014691 0.90 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28734927 0.83 CA2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19EGFR
SCHEMBL5086986 0.83 CYP2D6 (0.38) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6605780 0.83 RXRA (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29498841 0.83 RXRA (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28734957 0.82 HTR2A (0.30)
SCHEMBL1229433 0.81 CYP2C19 (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3770921 0.80 CA2 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29163256 0.80 EGFR (0.37) EGFRRXRAPPARGRARGELANE
SCHEMBL4853420 0.80 RXRA (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423744-B Lewis base catalyst and method thereof 埃克森美孚化学专利公司 2023-05-05 CN disclosed
US-11248070-B2 Lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-02-15 US disclosed
CN-113423744-A Lewis base catalyst and process therefor 埃克森美孚化学专利公司 2021-09-21 CN disclosed
US-20200255556-A1 Lewis Base Catalysts and Methods Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2020-08-13 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-6320047-B1 ACYL- OR THIOACYL-AMINOPYRIDINES ALLERGAN SALES, INC. 2001-11-20 US disclosed
US-6245786-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS ALLERGAN SALES, INC. 2001-06-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 US disclosed
US-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed
EP-0986537-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development, S.N.C. (FR) 2000-03-22 EP disclosed
US-5965606-A RETINOID RECEPTORS, 2-FLUORO-4-(2',2',4',4'-TETRAMETHYL-8'-TRIFLUOROMETHYLCHROMAN-6' -YL)CARBAMOYL BENZOIC ACID FOR TREATING MONOCYTIC LEUKEMIA ALLERGAN SALES, INC. (US) 1999-10-12 US disclosed
WO-1999050239-A2 NOVEL HETEROETHYNYLENE COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-10-07 WO disclosed
US-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US disclosed
CN-1207727-A Substd. aryl or heteroarylamides having retinoid-like biological activity VISION PHARM LP (US) 1999-02-10 CN disclosed
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 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 (2 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ALDH1A1 4017/4885CYP1A2 2917/4885CYP2D6 2096/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 ALDH1A1 4017/4885CYP1A2 2917/4885CYP2D6 2096/4885

“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.