SCHEMBL7923586

SCHEMBL7923586

Cc1c(C(C)C)c(C(C)C)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2A6 P11509 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP1B1 Q16678 1/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
UGT2B7 P16662 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL8617399 0.85 CYP1A2 (0.39) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL72911 0.84 SIGMAR1 (0.39) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL1054279 0.84 CYP2A6 (0.43) CYP1A2CYP2A6TSHRLMNAALDH1A1
Hydrogen Sulfide SCHEMBL28277787 0.82 SIGMAR1 (0.38) CYP1A2CYP2A6LMNAALDH1A1HSD17B10
SCHEMBL2810799 0.82 SIGMAR1 (0.38) CYP1A2CYP2A6LMNAALDH1A1HSD17B10
SCHEMBL6932320 0.82 SIGMAR1 (0.38) CYP1A2CYP2A6LMNAALDH1A1HSD17B10
SCHEMBL6932314 0.82 SIGMAR1 (0.38) CYP1A2CYP2A6LMNAALDH1A1HSD17B10
SCHEMBL2810800 0.82 SIGMAR1 (0.38) CYP1A2CYP2A6LMNAALDH1A1HSD17B10
SCHEMBL26313219 0.82 CYP1A2 (0.47) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL6909795 0.79 GABRA1 (0.42) CYP1A2TSHRLMNAHIF1AGAA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599448-B1 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH IND INC (US) 1998-04-29 EP claimed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US claimed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US claimed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP claimed
US-6204422-B1 CATALYTIC HYDRODEALKYLATION FUJI OIL COMPANY, LTD. (JP) 2001-03-20 US disclosed
EP-0599448-B1 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH IND INC (US) 1998-04-29 EP disclosed
EP-0599448-B1 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH IND INC (US) 1998-04-29 EP disclosed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US disclosed
US-5489332-A MIXTURE KOCH INDUSTRIES, INC. (US) 1996-02-06 US disclosed
EP-0599448-A3 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same. KOCH IND INC (US) 1995-03-29 EP disclosed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US disclosed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US disclosed
US-5385879-A Carbonless paper solvent comprising diisopropylmethylnaphthalene and products utilizing same KOCH INDUSTRIES, INC. (US) 1995-01-31 US disclosed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP disclosed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP disclosed
EP-0599448-A2 Solvant for use in carbonless paper, comprising diisopropylmethylnaphthalene, and products utilising same KOCH INDUSTRIES, INC. (US) 1994-06-01 EP disclosed
US-4827053-A VAPOR PHASE SOLDERING AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-05-02 US disclosed