SCHEMBL797440

SCHEMBL797440

CCCc1c(CO)c(CO)c(CCC)c(CCC)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TYMP P19971 1/20 0.30

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
SCHEMBL797401 0.84 LDHA (0.37) GCGRALDH1A1KDM4EGAAHPGD
SCHEMBL2309435 0.82 KDM4E (0.38) ALDH1A1TSHRKDM4EGAAHPGD
SCHEMBL10985455 0.77 GCGR (0.38) GCGR
SCHEMBL10344205 0.75 GCGR (0.37) GCGR
SCHEMBL10079136 0.74 LDHA (0.34) GCGRALDH1A1KDM4EGAAHPGD
SCHEMBL5587747 0.73 LDHA (0.39) ALDH1A1KDM4EGAAHPGDTYMP
SCHEMBL15255041 0.73 CNR1 (0.43) GCGRALDH1A1TSHRKDM4EHPGD
SCHEMBL1525964 0.73 DRD4 (0.39) TSHR
SCHEMBL10079110 0.72 ALDH1A1 (0.36) GCGRALDH1A1TSHR
SCHEMBL8092658 0.72 LDHA (0.43) KDM4E

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 GCGR 1208/4885ALDH1A1 1285/4885TSHR 980/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 GCGR 1517/4885ALDH1A1 591/4885TSHR 4113/4885

“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.