SCHEMBL16117677

SCHEMBL16117677

CC(C)(C)c1cc(-c2cc(Cl)ccc2Cl)c(Cl)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ATP2A2 P16615 1/20 0.48
▸ ATP2A3 Q93084 1/20 0.48
▸ NR1H4 Q96RI1 6/20 0.47
▸ HSD17B10 Q99714 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41

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
SCHEMBL16117678 0.78 ERBB2 (0.43) ALDH1A1ALOX15KDM4EMAPTNR1H4
SCHEMBL2789834 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL768507 0.77 ALDH1A1 (0.61) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL9258401 0.76 PTPN1 (0.42) ALDH1A1KDM4ENR1H4TSHRCYP3A4
SCHEMBL16117670 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL22560896 0.76 HSD17B10 (0.50) ALDH1A1ALOX15KDM4ECYP1A2MAPT
SCHEMBL4126691 0.74 ALOX15 (0.64) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL9503098 0.74 ALDH1A1 (0.71) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL29364307 0.73 TP53 (0.61) ALDH1A1MAPTHSD17B10TSHRCYP3A4
SCHEMBL440944 0.73 TP53 (0.61) ALDH1A1MAPTHSD17B10TSHRCYP3A4

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 11 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-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 (7 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 2706/4885ALOX15 4571/4885SMN1; SMN2 3761/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885ALOX15 4571/4885SMN1; SMN2 3761/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885ALOX15 4571/4885SMN1; SMN2 3761/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885ALOX15 4380/4885SMN1; SMN2 3583/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885ALOX15 4571/4885SMN1; SMN2 3761/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885ALOX15 4380/4885SMN1; SMN2 3583/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS ALDH1A1 2706/4885ALOX15 4571/4885SMN1; 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.

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