SCHEMBL15853285

SCHEMBL15853285

CCCCCCCCC#Cc1c2ccccc2cc2sc3c(sc4cc5ccccc5c(C#CCCCCCCCC)c43)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.39
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL15853289 1.00 KCNH2 (0.39) KCNH2MAPTNPC1RAB9AMEN1
SCHEMBL15853287 1.00 KCNH2 (0.39) KCNH2MAPTNPC1RAB9AMEN1
SCHEMBL17509621 0.75 KCNH2 (0.49) KCNH2MAPTNPC1RAB9ACYP3A4
SCHEMBL15853291 0.75 MAPT (0.45) MAPTCYP3A4TSHR
SCHEMBL15780508 0.73 MAPT (0.31) MAPT
SCHEMBL15853281 0.73 MAPT (0.34) MAPT
SCHEMBL7912520 0.71 KCNH2 (0.42) KCNH2NPC1RAB9AMEN1KMT2A
SCHEMBL20917299 0.70 MEN1 (0.39) KCNH2MAPTNPC1RAB9AMEN1
SCHEMBL718529 0.70 KCNH2 (0.46) KCNH2MAPTNPC1RAB9AMEN1
SCHEMBL719932 0.70 KCNH2 (0.46) KCNH2MAPTNPC1RAB9AMEN1

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-20150236269-A1 ORGANIC SEMICONDUCTOR SOLUTION AND ORGANIC SEMICONDUCTOR FILM TEIJIN LIMITED (JP) 2015-08-20 — — US disclosed
US-8829202-B2 Condensed polycyclic aromatic compound, aromatic polymer, and method for synthesizing aromatic compound TEIJIN LIMITED (JP) 2014-09-09 — — US disclosed
US-20140187792-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND TEIJIN LIMITED (JP) 2014-07-03 — — 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-20140187792-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND PAH, C9, CCNB2 KCNH2 343/4885MAPT 3228/4885NPC1 1687/4885

“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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