SCHEMBL797874

SCHEMBL797874

CCCc1c2c(c(CCC)c(C(=O)O)c1C(=O)O)Cc1c(c(CCC)c3ccccc3c1CCC)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 1/20 0.42
PPARG P37231 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AGTR1 P30556 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 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
SCHEMBL797755 0.86 KDM4E (0.50) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL1444836 0.84 LDHA (0.51) LDHALDHBKDM4EALDH1A1PPARG
SCHEMBL796328 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDPOLB
SCHEMBL796776 0.83 LDHA (0.44) LDHALDHBPPARG
SCHEMBL797847 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDGAAPPARG
SCHEMBL797610 0.80 LDHA (0.50) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL30732550 0.79 LDHA (0.51) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL29138975 0.79 LDHA (0.51) LDHALDHBKDM4EALDH1A1HPGD
SCHEMBL27596054 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8853214 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDPDE10ACES2

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 LDHA 2003/4885LDHB 2276/4885KDM4E 2385/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 LDHA 2792/4885LDHB 3121/4885KDM4E 1200/4885

“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.