SCHEMBL6874448

SCHEMBL6874448

Cc1ccccc1N(C)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.43
HSD17B2 P37059 5/20 0.43
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 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
Hydroquinone SCHEMBL28096005 0.94 HSD17B1 (0.42) HSD17B1HSD17B2ESR1ESR2MEN1
SCHEMBL13367414 0.83 TSHR (0.46) HSD17B1HSD17B2LMNATP53MAPT
SCHEMBL20384981 0.83 TSHR (0.41) MEN1TSHRKMT2ASIGMAR1ACHE
SCHEMBL2198610 0.83 TSHR (0.41) MEN1TSHRKMT2ASIGMAR1ACHE
SCHEMBL28032010 0.82 ESR1 (0.43) HSD17B1HSD17B2ESR1ESR2LMNA
SCHEMBL8652577 0.80 CYP3A4 (0.46) MEN1TP53MAPTTSHRMAPK1
SCHEMBL21549230 0.80 CES1 (0.42) MEN1TSHRKMT2ASIGMAR1APP
SCHEMBL20818184 0.80 CES2 (0.42) MEN1NPC1LMNATSHRMAPK1
SCHEMBL21479978 0.80 TAAR1 (0.39) HSD17B1HSD17B2USP2SIGMAR1MAPK13
SCHEMBL11569334 0.79 ALDH1A1 (0.55) HSD17B1HSD17B2LMNATSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205391-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-09-26 CN disclosed
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
EP-1115579-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION Ciba SC Holding AG (CH) 2001-07-18 EP disclosed
EP-1107972-A1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN Ciba SC Holding AG (CH) 2001-06-20 EP disclosed
WO-2000026037-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-11 WO disclosed
WO-2000012318-A1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
WO-2000012513-A1 NOVEL PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-03-09 WO disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 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 (1 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 HSD17B1 382/4885HSD17B2 640/4885ESR1 3576/4885

“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.