SCHEMBL20132899

SCHEMBL20132899

CC(C)(C)c1cc(O)cc(F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.42
ALDH1A1 P00352 5/20 0.42
CYP2C9 P11712 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TYR P14679 2/20 0.42
LMNA P02545 2/20 0.42
NR1I2 O75469 1/20 0.42
MIF P14174 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
CYP1A2 P05177 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ATP2A2 P16615 1/20 0.39
ATP2A3 Q93084 1/20 0.39
CYP3A4 P08684 3/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL28803391 0.84 ALOX15 (0.50) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL20993111 0.78 KDM4E (0.32) ALOX15ALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL17693529 0.78 HSD17B10 (0.56) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL25724937 0.78 ALDH1A1 (0.45) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL1042697 0.77 SMN1; SMN2 (0.46) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL8415616 0.77 ALOX15 (0.62) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL1042661 0.77 GABRA1 (0.34) ALOX15ALDH1A1CYP2C9SMN1; SMN2CYP1A2
SCHEMBL25696416 0.77 ALDH1A1 (0.43) ALOX15ALDH1A1CYP2C9HSD17B10TYR
SCHEMBL758610 0.77 HSD17B10 (0.50) ALOX15HSD17B10CYP3A4CHRM1MAOA
SCHEMBL26058906 0.73 ESR1 (0.38) ALOX15ALDH1A1CYP2C9HSD17B10TYR

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-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-03-15 US disclosed
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof JANSSEN BIOTECH, INC. (US) 2021-07-13 US disclosed
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-12-10 US disclosed
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-11-14 US disclosed
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 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 (8 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS ALOX15 4495/4885ALDH1A1 4072/4885CYP2C9 3242/4885
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof KRAS, NRAS, HRAS ALOX15 4167/4885ALDH1A1 2199/4885CYP2C9 3482/4885
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof KRAS, NRAS, HRAS ALOX15 4120/4885ALDH1A1 4653/4885CYP2C9 2581/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALOX15 4525/4885ALDH1A1 1402/4885CYP2C9 3016/4885
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALOX15 4120/4885ALDH1A1 4653/4885CYP2C9 2581/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALOX15 4579/4885ALDH1A1 4303/4885CYP2C9 3239/4885
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALOX15 4632/4885ALDH1A1 1468/4885CYP2C9 2890/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS ALOX15 4640/4885ALDH1A1 1729/4885CYP2C9 2615/4885

“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.