SCHEMBL16117672

SCHEMBL16117672

COc1cc(C(C)(C)C)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ HTR2A P28223 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSP90AA1 P07900 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 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
SCHEMBL13851451 0.89 CYP3A4 (0.50) NPC1LMNATP53CYP3A4HPGD
SCHEMBL14285750 0.87 LMNA (0.59) NPC1LMNATP53CYP3A4HPGD
SCHEMBL21302121 0.83 HPGD (0.46) NPC1LMNATP53CYP3A4HPGD
SCHEMBL12401755 0.83 LMNA (0.53) NPC1LMNATP53CYP3A4HPGD
SCHEMBL21139631 0.82 LMNA (0.44) NPC1LMNATP53CYP3A4HPGD
SCHEMBL20253183 0.82 ALOX15 (0.69) NPC1LMNATP53CYP3A4HPGD
SCHEMBL12331447 0.79 GAA (0.44) NPC1LMNATP53CYP3A4HPGD
SCHEMBL16609990 0.78 GAA (0.68) NPC1LMNAHPGDGAAALDH1A1
SCHEMBL13911912 0.78 ALDH1A1 (0.41) LMNATP53CYP3A4HPGDALOX15
SCHEMBL23422049 0.78 GAA (0.57) NPC1LMNATP53CYP3A4HPGD

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-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 (5 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 NPC1 4085/4885LMNA 3439/4885TP53 7/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 4085/4885LMNA 3439/4885TP53 7/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 4085/4885LMNA 3439/4885TP53 7/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS NPC1 4085/4885LMNA 3439/4885TP53 7/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NPC1 3576/4885LMNA 3223/4885TP53 2/4885

“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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