SCHEMBL3079554

SCHEMBL3079554

CC(C)C(c1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
KCNN4 O15554 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
RIPK1 Q13546 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9064405 0.85 CYP2D6 (0.41) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL22402881 0.77 CYP2D6 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL11044685 0.77 CYP2D6 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL28516083 0.74 MAPK1 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL8094367 0.74 CYP2D6 (0.45) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL3088976 0.74 MAPK1 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL575235 0.74 MAPK1 (0.46) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL3660630 0.74 TAAR1 (0.48) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL8089565 0.72 TSHR (0.50) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1
SCHEMBL9723670 0.72 CYP2D6 (0.48) CYP2D6CYP1A2KCNN4MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8502002-B2 Microscope immersion oil IDEMITSU KOSAN CO., LTD. (JP) 2013-08-06 US claimed
US-4728632-A ODORLESS KOCH INDUSTRIES, INC. (US) 1988-03-01 US claimed
EP-0235901-A1 Solutions and their use in carbonless paper KOCH INDUSTRIES, INC. (US) 1987-09-09 EP claimed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US claimed
US-3969420-A Process for recovering resorcinol and hydroquinone in mixture SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-07-13 US claimed
CN-110072933-B Tire comprising a polyindane resin and use thereof 伊士曼化工公司 2022-04-05 CN disclosed
CN-110072962-B Adhesive comprising a polyindane resin 伊士曼化工公司 2021-10-19 CN disclosed
EP-3555188-B1 TIRES COMPRISING POLYINDANE RESINS AND USES THEREOF EASTMAN CHEM CO (US) 2021-07-14 EP disclosed
US-11008444-B2 Tires comprising polyindane resins and uses thereof EASTMAN CHEMICAL COMPANY (US) 2021-05-18 US disclosed
US-10851270-B2 Adhesives comprising polyindane resins EASTMAN CHEMICAL COMPANY (US) 2020-12-01 US disclosed
EP-3555221-A1 ADHESIVES COMPRISING POLYINADANE RESINS Eastman Chemical Company (US) 2019-10-23 EP disclosed
EP-3555188-A1 TIRES COMPRISING POLYINDANE RESINS AND USES THEREOF Eastman Chemical Company (US) 2019-10-23 EP disclosed
EP-0235901-A1 Solutions and their use in carbonless paper KOCH INDUSTRIES, INC. (US) 1987-09-09 EP disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US disclosed
US-4347398-A Process for preparation of 1-methyl-3,5-diisopropyl benzene TEXACO INC. (US) 1982-08-31 US disclosed
US-4314091-A Preparation of 1-methyl-3,5-diisopropyl benzene from charge streams containing diisopropyl toluene TEXACO INC. (US) 1982-02-02 US disclosed
US-4297508-A BY REACTING CARBON DIOXIDE WITH B-NAPHTHOL, AN ALKALI METAL SALT OF B-NAPHTHOL, AND AN ALKYLBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
US-3993690-A Method of obtaining aromatic tri-or-tetracarboxylic acids SUVOROV BORIS VIKTOROVICH 1976-11-23 US disclosed