SCHEMBL1609536

SCHEMBL1609536

CCCCCCC[CH]c1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
TLR8 Q9NR97 3/20 0.38
ACHE P22303 2/20 0.36
AMY1A P0DUB6 1/20 0.36
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1611671 1.00 PDE5A (0.39) PDE5ATLR8ACHEAMY1AHTT
SCHEMBL1611182 0.98 PDE5A (0.40) PDE5ATLR8ACHEAMY1AALDH1A1
SCHEMBL1610292 0.93 PDE5A (0.44) PDE5ATLR8ACHEAMY1AALDH1A1
SCHEMBL1611849 0.86 ALDH1A1 (0.43) PDE5ATLR8ACHEHTTCNR1
SCHEMBL1610680 0.86 ALDH1A1 (0.43) PDE5ATLR8ACHEHTTCNR1
SCHEMBL1609490 0.85 AMY1A (0.40) PDE5AAMY1AHTTALDH1A1KDM4E
SCHEMBL11649550 0.84 AMY1A (0.35) PDE5AAMY1AALDH1A1KDM4ELMNA
SCHEMBL1610402 0.84 ALDH1A1 (0.43) PDE5ATLR8HTTCNR1CNR2
SCHEMBL9233272 0.83 PDE5A (0.40) PDE5AHTTCNR1CNR2ALDH1A1
SCHEMBL5480187 0.82 AMY1A (0.36) PDE5AAMY1AHTTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 PDE5A 3568/4885TLR8 4323/4885ACHE 3944/4885

“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.