SCHEMBL8246453

SCHEMBL8246453

O=C1C(c2ccc(-c3ccccc3)cc2)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA2B P29275 1/20 0.60
PPARG P37231 7/20 0.59
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
LTA4H P09960 2/20 0.54
PRKAB2 O43741 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA2 P54646 1/20 0.53
ACVR1 Q04771 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAG3 Q9UGI9 1/20 0.53
PRKAG2 Q9UGJ0 1/20 0.53

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
SCHEMBL8219845 0.95 NPC1 (0.61) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8221371 0.94 NPC1 (0.60) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8235188 0.94 NPC1 (0.60) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8219502 0.94 PPARG (0.61) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8222773 0.94 NPC1 (0.60) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8222800 0.93 NPC1 (0.58) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8230191 0.92 ADORA3 (0.58) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8216737 0.91 NPC1 (0.56) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8215912 0.91 NPC1 (0.56) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL8242012 0.90 PPARG (0.57) NPC1RAB9AADORA2AADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877747-B2 Indenone derivative and pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-11-04 US claimed
EP-2475649-B1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RES INST CHEM TECH (KR) 2014-08-13 EP claimed
US-20120214991-A1 Indenone Derivative and Pharmaceutical Composition Comprising Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-23 US claimed
EP-2475649-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-07-18 EP claimed
WO-2011030955-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-03-17 WO claimed
US-8877747-B2 Indenone derivative and pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-11-04 US disclosed
EP-2475649-B1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RES INST CHEM TECH (KR) 2014-08-13 EP disclosed
US-20120214991-A1 Indenone Derivative and Pharmaceutical Composition Comprising Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-23 US disclosed
EP-2475649-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-07-18 EP disclosed
WO-2011030955-A1 INDENONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-03-17 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 (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-20120214991-A1 Indenone Derivative and Pharmaceutical Composition Comprising Same INSR, HSD17B7, SOST NPC1 151/4885RAB9A 1488/4885ADORA2A 4061/4885

“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.