SCHEMBL797416

SCHEMBL797416

CCCCc1c(CCCC)c(CCCC)c2cc3c(CCCC)c(C(=O)O)c(C(=O)O)c(CCCC)c3cc2c1CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.49
LDHB P07195 3/20 0.49
SLC37A4 O43826 1/20 0.41
HPGD P15428 2/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 2/20 0.39
RARB P10826 1/20 0.39
PTPN11 Q06124 1/20 0.39
AGTR1 P30556 2/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38

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
SCHEMBL797087 0.89 LDHA (0.56) LDHALDHBHPGDHCAR2PTPN1
SCHEMBL797608 0.87 LDHA (0.54) LDHALDHBHPGDHCAR2PTPN1
SCHEMBL28473054 0.84 FFAR1 (0.43) LDHALDHBSLC37A4HPGDHCAR3
SCHEMBL14989169 0.82 FFAR1 (0.42) LDHALDHBSLC37A4HPGDHCAR3
SCHEMBL14989307 0.82 FFAR1 (0.44) LDHALDHBSLC37A4HPGDHCAR3
SCHEMBL12820203 0.81 NPC1 (0.39) LDHALDHBHPGDNPC1MAPK1
SCHEMBL8496979 0.79 BID (0.49) RARBBIDMCL1BCL2L1BAK1
SCHEMBL28856905 0.79 FFAR1 (0.40) LDHALDHBSLC37A4HPGDHCAR3
SCHEMBL29601412 0.78 FFAR1 (0.42) LDHALDHBSLC37A4HPGDHCAR3
SCHEMBL29171675 0.78 FFAR1 (0.42) LDHALDHBSLC37A4HPGDHCAR3

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 3121/4885SLC37A4 3176/4885

“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.