SCHEMBL14725740

SCHEMBL14725740

c1ccc2c(c1)oc1cc3c(cc12)c(-c1ccc2sc4ccccc4c2c1)cc1cc2c(cc(-c4ccc5sc6ccccc6c5c4)c4cc5c(cc42)oc2ccccc25)cc13

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
ALOX5 P09917 2/20 0.36
GPR3 P46089 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 2/20 0.33
PRKDC P78527 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PGR P06401 1/20 0.31
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL21180648 0.94 AHR (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472939 0.94 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL14725764 0.93 MAPT (0.37) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472803 0.91 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472926 0.90 MAPT (0.37) AHRALOX5GPR3MAOAMAPT
SCHEMBL14725736 0.88 MAPT (0.44) AHRALOX5MAOAMAPTALDH1A1
SCHEMBL15461867 0.87 AHR (0.35) AHRALOX5GPR3MAOAMAPT
SCHEMBL21180619 0.86 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL21180586 0.86 MAPT (0.36) AHRALOX5GPR3MAOAMAPT
SCHEMBL16472848 0.85 MAPT (0.44) AHRALOX5MAOAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 AHR 642/4885ALOX5 648/4885GPR3 3596/4885

“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.