SCHEMBL797878

SCHEMBL797878

CCCc1c2c(c(CCC)c(C(=O)OC)c1C(=O)OC)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
USP2 O75604 2/20 0.43
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 7/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 4/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
MAPK10 P53779 1/20 0.38
CASP7 P55210 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.37

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
SCHEMBL797349 0.82 CNR1 (0.39) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL797600 0.79 ABCB11 (0.46) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL10079132 0.79 CNR2 (0.37) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL9194914 0.76 LMNA (0.41) CNR2CNR1ALDH1A1KDM4EHPGD
SCHEMBL796709 0.74 MEN1 (0.39) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL796328 0.74 KDM4E (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL796741 0.72 NPC1 (0.39) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL10079139 0.72 MEN1 (0.38) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL13815353 0.71 MEN1 (0.37) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL6364973 0.71 NR4A2 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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 CNR2 3581/4885CNR1 3092/4885USP2 3034/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 CNR2 1020/4885CNR1 492/4885USP2 4245/4885

“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.