SCHEMBL1685607

SCHEMBL1685607

CCCCCCc1cc(CCCCCC)ncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
PTGS2 P35354 4/20 0.42
PPARA Q07869 1/20 0.39
CYP3A4 P08684 2/20 0.39
DNM2 P50570 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDR P35968 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
HSPD1 P10809 1/20 0.38

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
SCHEMBL2495475 0.98 KCNH2 (0.48) KCNH2PTGS2PPARACYP3A4DNM2
SCHEMBL24798597 0.88 KCNH2 (0.46) KCNH2PTGS2PPARACYP3A4DNM2
SCHEMBL1444787 0.84 KCNH2 (0.41) KCNH2PTGS2PPARACYP3A4DNM2
SCHEMBL1444830 0.84 KCNH2 (0.41) KCNH2PTGS2PPARACYP3A4ALDH1A1
SCHEMBL11815923 0.84 PTGS2 (0.42) KCNH2PTGS2CYP3A4ALDH1A1MAPT
SCHEMBL2052342 0.84 NOS2 (0.44) KCNH2ALDH1A1MAPTKDRKDM4E
SCHEMBL24974007 0.82 CA2 (0.42) KCNH2PTGS2PPARADNM2ALDH1A1
SCHEMBL21503637 0.79 CA2 (0.43) KCNH2PTGS2CYP3A4ALDH1A1MAPT
SCHEMBL11440331 0.79 DNM2 (0.39) KCNH2PTGS2CYP3A4DNM2ESR1
SCHEMBL15057849 0.77 GABRA2 (0.38) KCNH2CYP3A4ALDH1A1MAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697256-B2 Composition comprising phosphorescent compound and light emitting device using the composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-04-15 US disclosed
CN-102105530-A Composition comprising phosphorescence emitting compound, and light emitting element using the composition SUMITOMO CHEMICAL CO 2011-06-22 CN disclosed
US-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
US-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
EP-2308926-A1 COMPOSITION COMPRISING PHOSPHORESCENCE EMITTING COMPOUND, AND LIGHT EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
EP-2308926-A1 COMPOSITION COMPRISING PHOSPHORESCENCE EMITTING COMPOUND, AND LIGHT EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 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-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION CCNE2, CDCA2, CCNA2 KCNH2 2502/4885PTGS2 3474/4885PPARA 1967/4885

“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.