SCHEMBL16117697

SCHEMBL16117697

CC(C)c1cc(C(C)(C)C)c(O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
LMNA P02545 4/20 0.44
TP53 P04637 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 3/20 0.41
GABRB1 P18505 1/20 0.41
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
TYR P14679 2/20 0.39
NR1I2 O75469 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL16736751 0.92 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL18262923 0.85 LMNA (0.53) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16117670 0.79 ALDH1A1 (0.67) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL15631282 0.79 LMNA (0.54) ALOX15ALDH1A1CYP1A2MAPTLMNA
SCHEMBL11865828 0.78 ALOX15 (0.62) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10937876 0.78 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL12393857 0.78 ALOX15 (0.65) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL8209720 0.78 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL4126691 0.77 ALOX15 (0.64) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9503098 0.77 ALDH1A1 (0.71) ALOX15ALDH1A1SMN1; SMN2KDM4ECYP1A2

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
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 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 (6 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALOX15 4571/4885ALDH1A1 2706/4885SMN1; SMN2 3761/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALOX15 4571/4885ALDH1A1 2706/4885SMN1; SMN2 3761/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALOX15 4571/4885ALDH1A1 2706/4885SMN1; SMN2 3761/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ALOX15 4571/4885ALDH1A1 2706/4885SMN1; SMN2 3761/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALOX15 4380/4885ALDH1A1 1577/4885SMN1; SMN2 3583/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ALOX15 4571/4885ALDH1A1 2706/4885SMN1; SMN2 3761/4885

“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.