SCHEMBL796709

SCHEMBL796709

CCCc1c2c(c(CCC)c(C(=O)OC)c1C(=O)OC)Cc1c(c(CCC)c3cc4c(CCC)c(CCC)c(CCC)c(CCC)c4cc3c1CCC)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LDHA P00338 3/20 0.38
LDHB P07195 3/20 0.38
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90B1 P14625 3/20 0.33
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL10079139 0.92 MEN1 (0.38) MEN1KMT2AATML3MBTL1LDHA
SCHEMBL13815353 0.90 MEN1 (0.37) MEN1KMT2AATML3MBTL1LDHA
SCHEMBL797153 0.88 MEN1 (0.44) MEN1KMT2AATML3MBTL1LDHA
SCHEMBL797349 0.88 CNR1 (0.39) MEN1KMT2AATML3MBTL1CNR1
SCHEMBL797383 0.86 KMT2A (0.43) MEN1KMT2AATML3MBTL1LDHA
SCHEMBL796328 0.85 KDM4E (0.40) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL10079123 0.83 PTPN1 (0.34) MEN1KMT2AATML3MBTL1LDHA
SCHEMBL1444836 0.83 LDHA (0.51) L3MBTL1LDHALDHBKDM4EALDH1A1
SCHEMBL10079132 0.81 CNR2 (0.37) MEN1KMT2AATML3MBTL1CNR1
SCHEMBL796755 0.79 CNR2 (0.33) MEN1KMT2ACNR1CNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP disclosed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US disclosed
US-20030116755-A1 Polyacene derivatives and production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-06-26 US disclosed
EP-1262469-A1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-12-04 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-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 MEN1 1980/4885KMT2A 1823/4885ATM 4137/4885

“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.