SCHEMBL796741

SCHEMBL796741

CCCCc1c(CCCC)c(CCCC)c2c(c1CCCC)Cc1c(c(CCCC)c(C(=O)OC)c(C(=O)OC)c1CCCC)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10079115 0.90 NPC1 (0.38) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL797349 0.90 CNR1 (0.39) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL10079123 0.83 PTPN1 (0.34) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL10079132 0.80 CNR2 (0.37) NPC1RAB9ACNR1CNR2ALDH1A1
SCHEMBL796709 0.78 MEN1 (0.39) CNR1CNR2ALDH1A1MAPTHPGD
SCHEMBL12820203 0.77 NPC1 (0.39) NPC1RAB9ACNR1CNR2HPGD
SCHEMBL797846 0.75 LMNA (0.37) CNR1CNR2ALDH1A1MAPTHPGD
SCHEMBL796328 0.75 KDM4E (0.40) ALDH1A1MAPTHPGDNPSR1MAPK1
SCHEMBL10079139 0.73 MEN1 (0.38) CNR1CNR2ALDH1A1MAPTHPGD
SCHEMBL797878 0.72 CNR2 (0.44) CNR1CNR2ALDH1A1MAPTHPGD

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 NPC1 1529/4885RAB9A 2392/4885CNR1 492/4885

“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.