SCHEMBL797104

SCHEMBL797104

CCCc1c(CCC)c(CCC)c(C(=O)O)c(C(=O)O)c1CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.47
LDHB P07195 3/20 0.47
PTPN1 P18031 4/20 0.44
PTPN11 Q06124 3/20 0.44
JUN P05412 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
PTPN2 P17706 2/20 0.34
FFAR3 O14843 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
SCHEMBL14989214 0.97 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL9698976 0.95 LDHA (0.47) LDHALDHBPTPN1PTPN11JUN
SCHEMBL30563097 0.92 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989262 0.92 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL22418967 0.92 LDHA (0.48) LDHALDHBPTPN1PTPN11JUN
SCHEMBL28608597 0.87 LDHA (0.46) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989236 0.86 LDHA (0.48) LDHALDHBPTPN1PTPN11JUN
SCHEMBL28473054 0.85 FFAR1 (0.43) LDHALDHBHCAR2BIDMCL1
SCHEMBL5589034 0.84 LDHA (0.57) LDHALDHBPTPN1PTPN11JUN
SCHEMBL14989169 0.83 FFAR1 (0.42) LDHALDHBHCAR2BIDMCL1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118766515-B Esophageal cell sampler 杭州瑞睫医疗科技有限公司 2025-01-28 CN claimed
CN-118766515-A Esophageal cell sampler 杭州瑞睫医疗科技有限公司 2024-10-15 CN claimed
CN-118766515-B Esophageal cell sampler 杭州瑞睫医疗科技有限公司 2025-01-28 CN disclosed
CN-118766515-A Esophageal cell sampler 杭州瑞睫医疗科技有限公司 2024-10-15 CN disclosed
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 LDHA 2003/4885LDHB 2276/4885PTPN1 2182/4885
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.