SCHEMBL1611932

SCHEMBL1611932

[C]#CC(CCCCC)c1c2ccccc2cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
TACR3 P29371 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR2A P28223 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
SCHEMBL1610851 0.95 TACR3 (0.36) MAPTCNR2KMT2AL3MBTL1MEN1
SCHEMBL1609688 0.89 HTR2A (0.35) MAPTKMT2AL3MBTL1MEN1ATM
SCHEMBL1610411 0.82 HTR2A (0.37) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL1610858 0.81 PPARG (0.33) MAPTCNR2CNR1KMT2AL3MBTL1
SCHEMBL8207670 0.80 MAPT (0.43) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL10361949 0.79 MAPT (0.45) MAPTKMT2AL3MBTL1KDM4EMEN1
SCHEMBL1612032 0.79 KDM4E (0.40) CNR2CNR1KMT2AL3MBTL1KDM4E
SCHEMBL1611406 0.78 UGT2B7 (0.37) KMT2AMEN1NPC1ATMNPSR1
SCHEMBL22288178 0.78 MAPT (0.41) MAPTCNR2CNR1KMT2AL3MBTL1
SCHEMBL2113581 0.78 MAPT (0.41) MAPTCNR2CNR1KMT2AL3MBTL1

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 3838/4885CNR2 3192/4885CNR1 3215/4885

“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.