SCHEMBL796776

SCHEMBL796776

CCCc1c(CCC)c(CCC)c2c(c1CCC)Cc1c(c(CCC)c(C(=O)O)c(C(=O)O)c1CCC)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
HCAR2 Q8TDS4 1/20 0.33
JUN P05412 1/20 0.33
SCD O00767 1/20 0.32
ABCB11 O95342 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
BID P55957 3/20 0.30
MCL1 Q07820 3/20 0.30
BCL2L1 Q07817 2/20 0.30
BAK1 Q16611 2/20 0.30
KAT8 Q9H7Z6 2/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL1444836 0.86 LDHA (0.51) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL797874 0.83 LDHA (0.44) LDHALDHBPPARG
SCHEMBL797104 0.83 LDHA (0.47) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL14989214 0.81 LDHA (0.46) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL22418967 0.80 LDHA (0.48) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL797600 0.80 ABCB11 (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL796456 0.80 KDM4E (0.30)
SCHEMBL797349 0.79 CNR1 (0.39) L3MBTL1
SCHEMBL9698976 0.78 LDHA (0.47) LDHALDHBPTPN1PTPN11HCAR2
SCHEMBL797126 0.78

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 LDHA 2792/4885LDHB 3121/4885PTPN1 3729/4885

“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.