SCHEMBL797816

SCHEMBL797816

CCCc1c2c(c(CCC)c3c1Cc1c(c(CCC)c4ccccc4c1CCC)C3)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP4 P15090 2/20 0.34
TSHR P16473 1/20 0.33
DRD3 P35462 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ABCB11 O95342 1/20 0.32
NPC1 O15118 1/20 0.32
PABPC1 P11940 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 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
SCHEMBL1445196 0.85 ABCB11 (0.36) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL797847 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797175 0.81 ABCB11 (0.33) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL27596054 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797874 0.75 LDHA (0.44) KDM4EALDH1A1HPGDGAA
SCHEMBL6364635 0.75 KDM4E (0.39) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL28059845 0.74 KDM4E (0.41) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL797469 0.73 KDM4E (0.67) KDM4EALDH1A1HPGDGAARAB9A
SCHEMBL27699476 0.72 ALDH1A1 (0.60) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL796328 0.71 KDM4E (0.40) KDM4EALDH1A1HPGDMEN1LMNA

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 KDM4E 1200/4885ALDH1A1 591/4885HPGD 532/4885

“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.