SCHEMBL3258673

SCHEMBL3258673

CCc1cccc(C)c1CC.CCc1cccc(C)c1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 4/20 0.48
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
HTR1A P08908 1/20 0.40
SHBG P04278 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PTGS2 P35354 1/20 0.39
NLRP3 Q96P20 1/20 0.38
CYP2A6 P11509 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 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
SCHEMBL169506 1.00 GABRA1 (0.48) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL150658 0.98 GABRA1 (0.46) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
Methylamine SCHEMBL27931104 0.98 GABRA1 (0.46) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL7055042 0.98 GABRA1 (0.46) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
SCHEMBL9488152 0.93 SHBG (0.44) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
SCHEMBL28536733 0.89 GABRA1 (0.40) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
Formamide SCHEMBL27885905 0.89 GABRA1 (0.40) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
SCHEMBL3642069 0.89 GABRA1 (0.42) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
Diethylamine SCHEMBL6284503 0.89 CYP1A2 (0.40) GABRA1GABRB2CYP1A2CYP3A4CYP2D6
SCHEMBL9839879 0.88 TAAR1 (0.41) GABRA1GABRB2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651603-B2 Contacting hydrocarbonaceous feed at hydrocarbon converting conditions with catalyst comprising crystalline molecular sieve having STI topology and mole ratio of at least 15 of an oxide of a first tetravalent element to an oxide of a trivalent element, pentavalent element, a second tetravalent element CHEVRON U.S.A. INC. (US) 2010-01-26 US disclosed
US-7601255-B2 Process for removal of residual catalyst components CHEMTURA CORPORATION (US) 2009-10-13 US disclosed
US-7396969-B2 Process for preparing short chain alkyl aromatic compounds MOBIL OIL CORPORATION (US) 2008-07-08 US disclosed
US-20080053873-A1 Process for removal of residual catalyst components LANXESS SOLUTIONS US INC. 2008-03-06 US disclosed
US-20070284284-A1 Contacting hydrocarbonaceous feed at hydrocarbon converting conditions with catalyst comprising crystalline molecular sieve having STI topology and mole ratio of at least 15 of an oxide of a first tetravalent element to an oxide of a trivalent element, pentavalent element, a second tetravalent element CHEVRON U.S.A. INC. 2007-12-13 US disclosed
US-20050197517-A1 Process for preparing short chain alkyl aromatic compounds EXXONMOBIL OIL CORPORATION 2005-09-08 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 (1 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-20070284284-A1 Contacting hydrocarbonaceous feed at hydrocarbon converting conditions with catalyst comprising crystalline molecular sieve having STI topology and mole ratio of at least 15 of an oxide of a first tetravalent element to an oxide of a trivalent element, pentavalent element, a second tetravalent element SRP72, MUS81, SSU72 GABRA1 2505/4885GABRB2 3339/4885CYP1A2 1499/4885

“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.