SCHEMBL12762091

SCHEMBL12762091

CCOc1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.46
▸ AR P10275 2/20 0.44
▸ MAPT P10636 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ESR2 Q92731 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
SCHEMBL12778370 0.86 THRA (0.49) MAPTL3MBTL1KMT2APDK2ALDH1A1
SCHEMBL12778374 0.86 PDK2 (0.43) MAPTL3MBTL1KMT2APDK2ALDH1A1
SCHEMBL17688873 0.83 NQO1 (0.48) NQO1MAPTLMNAKMT2AKDM4E
SCHEMBL14949902 0.81 NQO1 (0.46) NQO1ARMAPTL3MBTL1LMNA
SCHEMBL6832255 0.81 NQO1 (0.46) NQO1ARMAPTL3MBTL1LMNA
SCHEMBL8257891 0.81 MAOA (0.39) ARL3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL12126640 0.80 LMNA (0.52) NQO1ARMAPTL3MBTL1LMNA
SCHEMBL5953654 0.80 MAPT (0.45) NQO1ARMAPTL3MBTL1LMNA
SCHEMBL30649163 0.80 NQO1 (0.45) NQO1ARMAPTL3MBTL1LMNA
SCHEMBL12875593 0.80 NQO1 (0.45) NQO1ARMAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 — — US disclosed
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-09-15 — — US disclosed
US-9315542-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-19 — — US disclosed
US-9309283-B2 Prodrugs of peptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-04-12 — — US disclosed
US-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. 2014-04-17 — — US disclosed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 — — WO disclosed
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 — — US disclosed
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections LEIVERS MARTIN 2011-03-03 — — US disclosed
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 — — US disclosed
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections LEIVERS MARTIN 2011-03-03 — — US disclosed
WO-2011026091-A1 IMIDAZOPYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 — — WO disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 — — WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 — — US disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 — — 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-20140105921-A1 Prodrugs of Peptide Epoxy Ketone Protease Inhibitors PREP, VIP, PEPD NQO1 1981/4885AR 2258/4885MAPT 3880/4885
US-20110052534-A1 Imidazopyridazine Compounds for Treating Viral Infections ACE, ACE2, TPMT NQO1 1069/4885AR 4740/4885MAPT 1421/4885
US-20160263234-A1 PRODRUGS OF PEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, VIP, PEPD NQO1 1981/4885AR 2258/4885MAPT 3880/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R NQO1 2962/4885AR 413/4885MAPT 1929/4885
US-20110053892-A1 Imidazo[4,5-d]Pyridazine Compounds For Treating Viral Infections MAVS, ZC3HAV1, IL5 NQO1 1618/4885AR 4479/4885MAPT 1121/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 NQO1 3277/4885AR 4786/4885MAPT 1163/4885

“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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