SCHEMBL796328

SCHEMBL796328

CCCc1c2c(c(CCC)c(C(=O)OC)c1C(=O)OC)Cc1c(c(CCC)c3ccccc3c1CCC)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
NR4A2 P43354 3/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6364973 0.88 NR4A2 (0.46) KDM4ENR4A2MAPK1ALDH1A1LMNA
SCHEMBL796709 0.85 MEN1 (0.39) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL797349 0.84 CNR1 (0.39) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL797874 0.83 LDHA (0.44) KDM4EALDH1A1HPGDPOLB
SCHEMBL10079139 0.83 MEN1 (0.38) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL796905 0.82 MEN1 (0.44) KDM4ENR4A2MAPK1ALDH1A1LMNA
SCHEMBL13815353 0.82 MEN1 (0.37) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL10079132 0.81 CNR2 (0.37) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL797847 0.77 KDM4E (0.47) KDM4EALDH1A1LMNAHPGDNCEH1
SCHEMBL796741 0.75 NPC1 (0.39) KDM4EMAPK1ALDH1A1LMNAHPGD

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 6 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-20050240061-A1 Functional thin film JAPAN SCIENCE AND TECHNOLOGY AGENCY 2005-10-27 US disclosed
EP-1493796-A1 FUNCTIONAL THIN FILM Japan Science and Technology Agency (JP) 2005-01-05 EP 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 (2 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-20050240061-A1 Functional thin film H1-10, H1-0, H1-2 KDM4E 2385/4885NR4A2 1628/4885MAPK1 1864/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 KDM4E 1200/4885NR4A2 1231/4885MAPK1 602/4885

“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.