SCHEMBL8217528

SCHEMBL8217528

CC(C)[CH]c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.46
APP P05067 1/20 0.41
TRPA1 O75762 3/20 0.41
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.38
PTGS1 P23219 2/20 0.38
NQO2 P16083 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 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
SCHEMBL6320606 0.86 TYR (0.38)
SCHEMBL7452304 0.76 NFE2L2 (0.44) NFE2L2APPHSD11B1PTGS1
SCHEMBL9824054 0.76 CYP2A6 (0.48) NFE2L2ACHEPTGS1ALOX5PTGS2
SCHEMBL2869906 0.75 NFE2L2 (0.54) NFE2L2APPTRPA1MEN1KMT2A
SCHEMBL105258 0.75 NFE2L2 (0.54) NFE2L2APPTRPA1MEN1KMT2A
SCHEMBL5391671 0.74 ESR1 (0.46) NFE2L2APPTRPA1MEN1KMT2A
SCHEMBL8210757 0.74 CYP2A6 (0.42) MEN1KMT2ALMNAHPGD
SCHEMBL3086641 0.74 HSD17B10 (0.46) TRPA1LMNAPTGS1ALOX5PTGS2
SCHEMBL1176312 0.74 APP (0.44) APPACHEMEN1KMT2ANQO2
SCHEMBL18243034 0.74 APP (0.41) APP

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN disclosed
US-6057290-A ADMINISTERING A CYSTEINE PROTEASE INHIBITOR TO A PATIENT FOR INHIBITING ANGIOGENESIS SENJU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 NFE2L2 45/4885APP 4064/4885TRPA1 500/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 NFE2L2 45/4885APP 4064/4885TRPA1 500/4885

“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.