SCHEMBL20114465

SCHEMBL20114465

CSC(C)(C)c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KIF11 P52732 2/20 0.41
AR P10275 5/20 0.37
HSD17B3 P37058 1/20 0.36
ESRRG P62508 2/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
ESR2 Q92731 3/20 0.34
ESR1 P03372 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL10176702 0.80 ALDH1A1 (0.59) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL30368360 0.80 KIF11 (0.52) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL3022860 0.80 KIF11 (0.52) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL10664383 0.76 ALDH1A1 (0.59) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL5878833 0.73 AR (0.42) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL30977609 0.71 KIF11 (0.53) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL156681 0.71 KIF11 (0.53) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL10034978 0.70 NR1I2 (0.45) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL9694190 0.70 KIF11 (0.47) HSD17B10NR1I2ALDH1A1LMNACYP2C9
SCHEMBL29427019 0.70 NR1I2 (0.45) HSD17B10NR1I2ALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 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 (2 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HSD17B10 4831/4885NR1I2 610/4885ALDH1A1 4009/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HSD17B10 4734/4885NR1I2 614/4885ALDH1A1 3675/4885

“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.