SCHEMBL1053940

SCHEMBL1053940

C#Cc1ccc(N(c2ccccc2C)c2ccccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.36
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6279073 0.89 CYP1A2 (0.33) CYP3A4
SCHEMBL8943789 0.84 ACHE (0.45) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL4893894 0.82 ACHE (0.43) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL7486408 0.82 ACHE (0.43) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL7154196 0.78 ACHE (0.39) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL13929896 0.78 ACHE (0.39) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL13480247 0.78 TSHR (0.42) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL8470149 0.78 TSHR (0.43) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL15247033 0.76 ALDH1A1 (0.46) TSHRACHECYP3A4LMNASIGMAR1
SCHEMBL7149189 0.76 TSHR (0.41) TSHRACHECYP3A4LMNASIGMAR1

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-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-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 HDAC8 4560/4885TSHR 4852/4885ACHE 1554/4885
US-20050067955-A1 Compound derived from cyclopentadienone, preparation method thereof and EL element using the same ELP1, CYP51A1, ELOVL1 HDAC8 4560/4885TSHR 4852/4885ACHE 1554/4885

“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.