SCHEMBL1637170

SCHEMBL1637170

COc1cc(C)c(OC)c(C)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP1 P29466 1/20 0.43
PRKDC P78527 1/20 0.40
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
AKR1B1 P15121 4/20 0.39
CYP19A1 P11511 2/20 0.38
NQO2 P16083 2/20 0.38
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL10750407 0.85 ACHE (0.43) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL6314730 0.85 ERN1 (0.41) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL10504348 0.84 AKR1B1 (0.41) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL29818620 0.84 ERN1 (0.52) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL29818735 0.82 ERN1 (0.46) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL5143502 0.81 ERN1 (0.41) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL4551009 0.80 ALDH1A1 (0.44) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL16684740 0.79 ERN1 (0.43) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL29690890 0.79 ERN1 (0.43) ERN1ALDH1A1KDM4ETDP1MEN1
SCHEMBL16684805 0.79 ERN1 (0.49) ERN1ALDH1A1KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786828-B1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX SA (FR) 2012-01-11 EP disclosed
US-7932050-B2 Enzymatic substrates derived from phenoxazinone and their use as developers in detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2011-04-26 US disclosed
US-20100028926-A1 Novel enzymatic substrates derived from phenoxazinone and their use as developer in detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2010-02-04 US disclosed
US-7626018-B2 Enzymatic substrates derived from phenoxazinone and their use as developer in detection of microorganisms with peptidase activity bioMérieux (FR) 2009-12-01 US disclosed
US-20080293094-A1 Novel Enzymatic Substrates Derived from Phenoxazinone and Their Use as Developer in Detection of Microorganisms with Peptidase Activity BIOMERIEUX (FR) 2008-11-27 US disclosed
EP-1786828-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2007-05-23 EP disclosed
WO-2006030119-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY bioMérieux (FR) 2006-03-23 WO disclosed
EP-0507318-B1 Benzothiazole derivative EISAI CO LTD (JP) 1997-09-10 EP disclosed
US-5635519-A SUPPRESSANT FOR THE PRODUCTION OF LEUKOTRIENES AND THROMBOXANES; ENZYME INHIBITOR FOR 5-LIPOXYGENASE AND THROMBOXANE SYNTHETASE EISAI CO., LTD. (JP) 1997-06-03 US disclosed
US-5420144-A Antiinflammatory agents and leukotriene inhibitors EISAI CO., LTD. (JP) 1995-05-30 US disclosed
US-5300518-A Supressing leukotrien, lipoxygenase and thromoxane lipoxygenase and thromoxane EISAI CO., LTD. (JP) 1994-04-05 US disclosed
EP-0507318-A1 Benzothiazole derivative Eisai Co., Ltd. (JP) 1992-10-07 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-20080293094-A1 Novel Enzymatic Substrates Derived from Phenoxazinone and Their Use as Developer in Detection of Microorganisms with Peptidase Activity PEPD, CTRL, PREP ERN1 1531/4885ALDH1A1 639/4885KDM4E 2742/4885

“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.