SCHEMBL16117692

SCHEMBL16117692

COc1cc(Cl)c(C=O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ HPGD P15428 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ERN1 O75460 6/20 0.44
▸ PRKDC P78527 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19997126 0.82 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ETDP1TSHR
SCHEMBL1049563 0.81 ALDH1A1 (0.66) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL4139930 0.80 ALDH1A1 (0.53) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL15054285 0.80 ALDH1A1 (0.55) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL21455229 0.79 ALDH1A1 (0.53) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL10333651 0.79 HPGD (0.58) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL25052896 0.79 TP53 (0.55) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL14285750 0.77 LMNA (0.59) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL4065455 0.77 ALDH1A1 (0.53) ALDH1A1HPGDLMNACYP3A4ALOX15
SCHEMBL5643949 0.76 ALOX15 (0.62) ALDH1A1HPGDLMNACYP3A4ALOX15

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 8 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-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 — — 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-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-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 ALDH1A1 2706/4885HPGD 1067/4885LMNA 3439/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885HPGD 1067/4885LMNA 3439/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885HPGD 2042/4885LMNA 3223/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885HPGD 1067/4885LMNA 3439/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885HPGD 2042/4885LMNA 3223/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885HPGD 1067/4885LMNA 3439/4885

“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.

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