SCHEMBL9861344

SCHEMBL9861344

CC(C)(C)c1cc(C(F)(F)F)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.58
CA1 P00915 2/20 0.58
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLB P06746 1/20 0.56
TYR P14679 1/20 0.56
ALOX15 P16050 4/20 0.50
MAPT P10636 4/20 0.50
HPN P05981 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
GAA P10253 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 4/20 0.45
NPSR1 Q6W5P4 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
GALR3 O60755 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 5/20 0.45

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
SCHEMBL21083093 0.96 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9862080 0.89 CYP2C9 (0.61) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL23542395 0.89 CA2 (0.46) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9861329 0.86 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL35141 0.82 CA2 (0.67) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL391593 0.82 CES2 (0.45) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL20958241 0.82 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL24406295 0.82 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL9861561 0.82 CA2 (0.54) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL185063 0.81 CA2 (0.58) CA2CA1ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433236-A Carbene catalyst, poly cyclopentenyl special elastomer, and preparation method and application thereof 北京石油化工学院 2022-12-06 CN disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 WO disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 CA2 3654/4885CA1 3467/4885ALDH1A1 670/4885

“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.