SCHEMBL1049148

SCHEMBL1049148

C#Cc1ccc2c(c1)c1cc(C#C)ccc1n2CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
HBB P68871 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
PTGER4 P35408 3/20 0.41
LMNA P02545 3/20 0.41
RORC P51449 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SRC P12931 2/20 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
SCHEMBL1052731 0.92 MAPT (0.59) KDM4EHPGDALDH1A1MAPTHTT
SCHEMBL1052309 0.85 KDM4E (0.39) KDM4EHPGDALDH1A1MAPTHTT
SCHEMBL21076080 0.81 RORC (0.52) KDM4EHPGDALDH1A1MAPTHTT
SCHEMBL6857184 0.80 PSEN1 (0.49) RORC
SCHEMBL16034756 0.80 PSEN1 (0.49) RORC
SCHEMBL3619090 0.80 PSEN1 (0.49) RORC
SCHEMBL28347546 0.80 PSEN1 (0.49) RORC
SCHEMBL15298519 0.80 PSEN1 (0.49) RORC
SCHEMBL17461813 0.79 HPGD (0.56) KDM4EHPGDALDH1A1MAPTHTT
SCHEMBL12328141 0.78 KDM4E (0.39) KDM4EHPGDALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875748-B2 Prepared by reaction of tetraphenylcyclopentadienone with 1,4-diethynyl-2,5-dimethoxybenzene; can be used as a core material for an organic electroluminescence element or other optical devices KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-25 US disclosed
US-7875748-B2 Prepared by reaction of tetraphenylcyclopentadienone with 1,4-diethynyl-2,5-dimethoxybenzene; can be used as a core material for an organic electroluminescence element or other optical devices KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-25 US disclosed
US-7875748-B2 Prepared by reaction of tetraphenylcyclopentadienone with 1,4-diethynyl-2,5-dimethoxybenzene; can be used as a core material for an organic electroluminescence element or other optical devices KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-25 US disclosed
US-20090240062-A1 COMPOUND DERIVED FROM CYCLOPENTADIENONE, PREPARATION METHOD THEREOF AND EL ELEMENT USING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-09-24 US disclosed
US-20090240062-A1 COMPOUND DERIVED FROM CYCLOPENTADIENONE, PREPARATION METHOD THEREOF AND EL ELEMENT USING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-09-24 US disclosed
US-20090240062-A1 COMPOUND DERIVED FROM CYCLOPENTADIENONE, PREPARATION METHOD THEREOF AND EL ELEMENT USING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-09-24 US disclosed
US-20050067955-A1 Compound derived from cyclopentadienone, preparation method thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-03-31 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 (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-20090240062-A1 COMPOUND DERIVED FROM CYCLOPENTADIENONE, PREPARATION METHOD THEREOF AND EL ELEMENT USING THE SAME ELP1, CYP51A1, ELOVL1 KDM4E 1785/4885HPGD 212/4885ALDH1A1 525/4885
US-20050067955-A1 Compound derived from cyclopentadienone, preparation method thereof and EL element using the same ELP1, CYP51A1, ELOVL1 KDM4E 1785/4885HPGD 212/4885ALDH1A1 525/4885

“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.