SCHEMBL17030748

SCHEMBL17030748

CC(C)(C)c1c(O)ccc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
CES1 P23141 5/20 0.37
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CCR4 P51679 1/20 0.33
NQO1 P15559 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL16702241 0.77 BCL2L1 (0.42) BCL2L1BADCES1GRIA1GRIA2
SCHEMBL25033705 0.76 CES1 (0.35) BCL2L1BADCES1CCR4NOS3
SCHEMBL10928179 0.75 LMNA (0.40) BCL2L1BADCES1
SCHEMBL1284960 0.74 BCL2L1 (0.58) BCL2L1BADCES1GRIA1GRIA2
SCHEMBL19296831 0.74 HTR2A (0.39) ALDH1A1HPGDCETP
SCHEMBL16646844 0.74 BCL2L1 (0.52) BCL2L1BADCES1GRIA1GRIA2
SCHEMBL9362457 0.73 CA2 (0.43) BCL2L1BADCES1GRIA1GRIA2
SCHEMBL20932959 0.73 PNMT (0.40)
SCHEMBL3797823 0.73 BCL2L1 (0.56) BCL2L1BADGRIA1GRIA2GRIA3
SCHEMBL16527208 0.72 BCL2L1 (0.50) BCL2L1BADCES1GRIA1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (10 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS BCL2L1 2582/4885BAD 4469/4885CES1 2445/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BCL2L1 627/4885BAD 471/4885CES1 3492/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS BCL2L1 966/4885BAD 1057/4885CES1 1974/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BCL2L1 960/4885BAD 755/4885CES1 3347/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BCL2L1 960/4885BAD 755/4885CES1 3347/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BCL2L1 627/4885BAD 471/4885CES1 3492/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS BCL2L1 627/4885BAD 471/4885CES1 3492/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS BCL2L1 326/4885BAD 1884/4885CES1 4071/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS BCL2L1 2582/4885BAD 4469/4885CES1 2445/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS BCL2L1 326/4885BAD 1884/4885CES1 4071/4885

“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.