SCHEMBL1612398

SCHEMBL1612398

CCCC#Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.50
▸ CHAT P28329 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ GRM5 P41594 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HRH3 Q9Y5N1 5/20 0.39
▸ ACACB O00763 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL1611573 0.89 MAPT (0.45) TLR8CHATMEN1KMT2AMITF
SCHEMBL1610300 0.88 KCNH2 (0.49) TLR8CHATMEN1KMT2AMITF
SCHEMBL26260435 0.86 KCNH2 (0.51) TLR8CHATMEN1KMT2AMITF
SCHEMBL1612035 0.86 KCNH2 (0.51) TLR8CHATMEN1KMT2AMITF
SCHEMBL27481040 0.85 CHAT (0.49) CHATMEN1KMT2AMITFMAPT
SCHEMBL1611810 0.84 TLR8 (0.50) TLR8CHATMEN1KMT2AMITF
SCHEMBL11746046 0.81 CHAT (0.41) CHATGRM5ALDH1A1HRH3CA1
SCHEMBL2410459 0.79 MAPT (0.54) CHATMEN1KMT2AMITFMAPT
SCHEMBL9670354 0.79 MEN1 (0.43) CHATMEN1KMT2AMITFMAPT
SCHEMBL29661843 0.77 CHAT (0.60) CHATMEN1KMT2AMITFMAPT

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 TLR8 4323/4885CHAT 1928/4885MEN1 2360/4885

“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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