SCHEMBL1611573

SCHEMBL1611573

CCCCC#Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP3A4 P08684 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
APEX1 P27695 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHAT P28329 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
KCNH2 Q12809 1/20 0.42
GRM5 P41594 1/20 0.41

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
SCHEMBL1610300 0.95 KCNH2 (0.49) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL26260435 0.93 KCNH2 (0.51) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL1612035 0.93 KCNH2 (0.51) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL1612398 0.89 TLR8 (0.50) MAPTKDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL1611547 0.85 CYP3A4 (0.42) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL2410459 0.83 MAPT (0.54) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL9670354 0.83 MEN1 (0.43) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL28365768 0.83 CYP3A4 (0.45) MAPTKDM4ECYP3A4CYP1A2CYP2C9
SCHEMBL27481040 0.82 CHAT (0.49) MAPTKDM4ECYP1A2CYP2C19HSD17B10
SCHEMBL1610812 0.81 KCNH2 (0.45) MAPTKDM4ECYP3A4CYP1A2CYP2C9

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 MAPT 3838/4885KDM4E 1272/4885CYP3A4 517/4885

“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.