SCHEMBL1053938

SCHEMBL1053938

C#Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.38
▸ ACHE P22303 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KCNH2 Q12809 3/20 0.35
▸ CA2 P00918 3/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ PYCR1 P32322 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33

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
SCHEMBL6004167 1.00 ALDH1A1 (0.42) ALDH1A1TSHRCYP2A6HDAC8ACHE
SCHEMBL13201579 0.89 CYP2A6 (0.42) ALDH1A1TSHRCYP2A6HDAC8TDP1
SCHEMBL1478591 0.88 HDAC8 (0.43) ALDH1A1HDAC8TDP1CA2CA12
SCHEMBL6279069 0.87 ALDH1A1 (0.38) ALDH1A1TSHRCYP2A6ACHETDP1
SCHEMBL23059787 0.86 PTPN1 (0.40) ALDH1A1TSHRACHEKCNH2CA2
SCHEMBL121302 0.85 — —
Bromide SCHEMBL28139811 0.83 ALDH1A1 (0.50) ALDH1A1CYP2A6HDAC8ACHETDP1
SCHEMBL28344843 0.83 ALDH1A1 (0.50) ALDH1A1CYP2A6HDAC8ACHETDP1
Hydrochloric Acid SCHEMBL28998656 0.83 ALDH1A1 (0.50) ALDH1A1CYP2A6HDAC8ACHETDP1
SCHEMBL27596658 0.83 ALDH1A1 (0.50) ALDH1A1CYP2A6HDAC8ACHETDP1

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 ALDH1A1 525/4885TSHR 4852/4885CYP2A6 694/4885
US-20050067955-A1 Compound derived from cyclopentadienone, preparation method thereof and EL element using the same ELP1, CYP51A1, ELOVL1 ALDH1A1 525/4885TSHR 4852/4885CYP2A6 694/4885

“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.

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