SCHEMBL6681969

SCHEMBL6681969

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
MAPK1 P28482 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX15 P16050 1/20 0.38
RIPK1 Q13546 1/20 0.38
GRIN1 Q05586 4/20 0.37
GRIN2A Q12879 4/20 0.37
GRIN2D O15399 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN2B Q13224 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL324374 0.83 TAAR1 (0.47) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL4399836 0.82 TAAR1 (0.50) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL10831632 0.82 TAAR1 (0.56) TAAR1
SCHEMBL4399833 0.82 TAAR1 (0.50) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL113841 0.82 TAAR1 (0.50) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL6277129 0.81 TAAR1 (0.43) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL1538339 0.81 TAAR1 (0.43) TAAR1MAPK1CYP2D6CYP3A4CYP2C19
SCHEMBL1019329 0.80 RIPK1 (0.52) TAAR1MAPK1ALDH1A1ALOX15RIPK1
SCHEMBL18900864 0.80 GAA (0.39) TAAR1MAPK1CYP3A4HIF1AALDH1A1
SCHEMBL17885863 0.79 ALDH1A1 (0.44) TAAR1MAPK1CYP2D6CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5175135-A Using acid mordenite zeolite as alkylation catalysts to produce dialkylbiphenyl THE DOW CHEMICAL COMPANY (US) 1992-12-29 US disclosed
US-5004841-A Para-substitutions with crystalline acidic mordenite zeolite alkylation catalysts THE DOW CHEMICAL COMPANY (US) 1991-04-02 US disclosed
EP-0317907-A2 Alkylation of polycyclic aromatic compounds to alkylates enriched in the para-substituted isomers THE DOW CHEMICAL COMPANY (US) 1989-05-31 EP 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 (3 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TAAR1 4603/4885MAPK1 1199/4885CYP2D6 1759/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TAAR1 3983/4885MAPK1 378/4885CYP2D6 981/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 TAAR1 298/4885MAPK1 4246/4885CYP2D6 3342/4885

“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.