SCHEMBL876286

SCHEMBL876286

Cc1c(O)ccc2c(CCl)cc(=O)oc12

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.73
PON1 P27169 1/20 0.73
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 2/20 0.65
GLA P06280 2/20 0.65
HPGD P15428 2/20 0.65
MAOB P27338 2/20 0.65
P4HB P07237 1/20 0.58
GAA P10253 1/20 0.58
CA12 O43570 7/20 0.57
CA9 Q16790 7/20 0.57
TNF P01375 1/20 0.56
NOD2 Q9HC29 1/20 0.56
NOD1 Q9Y239 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL28065506 0.84 MCL1 (1.00) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL15984890 0.84 KDM4E (0.64) KDM4EALDH1A1GLAHPGDMAOB
SCHEMBL15211418 0.83 MCL1 (0.75) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL7000517 0.82 KDM4E (0.70) MCL1KDM4EALDH1A1GLAHPGD
SCHEMBL15211432 0.81 MCL1 (0.68) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL876290 0.81 KDM4E (0.64) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL5345045 0.80 MAOB (0.77) MCL1KDM4EALDH1A1GLAHPGD
SCHEMBL15104536 0.80 KDM4E (0.60) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL15104539 0.80 KDM4E (0.63) MCL1PON1KDM4EALDH1A1GLA
SCHEMBL18074001 0.80 KDM4E (0.62) KDM4EALDH1A1GLAHPGDMAOB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
EP-3196274-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, AND USES THEREOF Etablissements J. Soufflet (FR) 2017-07-26 EP disclosed
EP-3196274-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, AND USES THEREOF Etablissements J. Soufflet (FR) 2017-07-26 EP disclosed
EP-2619281-B1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF J SOUFFLET ETS (FR) 2016-11-09 EP disclosed
CN-104254525-B aromatic ring compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-05-25 CN disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
CN-104254525-A Aromatic ring compound TAKEDA PHARMACEUTICAL 2014-12-31 CN disclosed
US-20140234884-A1 FLUOROGENIC SUBSTRATES, METHODS OF MAKING THE SUBSTRATES, AND METHODS OF DETECTING GLYCOSIDASE ACTIVITIES UNIVERSITE DE STRASBOURG (FR) 2014-08-21 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
WO-2012038614-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. SOUFFLET (FR) 2012-03-29 WO disclosed
WO-2012038614-A1 SULFONATED COUMARINS, SYNTHESIS THEREOF, FLUOROGENIC SUBSTRATES RESULTING FROM GRAFTING SAID COUMARINS ONTO SUGARS, METHOD FOR PREPARING SAID SUBSTRATES, AND USES THEREOF ETS J. SOUFFLET (FR) 2012-03-29 WO disclosed
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 US disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 WO 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-20140234884-A1 FLUOROGENIC SUBSTRATES, METHODS OF MAKING THE SUBSTRATES, AND METHODS OF DETECTING GLYCOSIDASE ACTIVITIES ENGASE, GBA3, GMDS MCL1 1511/4885PON1 511/4885KDM4E 1348/4885
US-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 MCL1 1419/4885PON1 2221/4885KDM4E 3035/4885

“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.