SCHEMBL797755

SCHEMBL797755

CCCc1c(C(=O)O)c(C(=O)O)c(CCC)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
GAA P10253 1/20 0.50
LDHA P00338 3/20 0.47
LDHB P07195 3/20 0.47
PPARG P37231 2/20 0.47
PDE10A Q9Y233 1/20 0.46
CYP1A2 P05177 2/20 0.44
GLA P06280 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AGTR1 P30556 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
POLB P06746 1/20 0.42
EGFR P00533 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42

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
SCHEMBL797610 0.93 LDHA (0.50) KDM4EALDH1A1HPGDGAALDHA
SCHEMBL30732550 0.88 LDHA (0.51) KDM4EALDH1A1HPGDGAALDHA
SCHEMBL29138975 0.88 LDHA (0.51) KDM4EALDH1A1HPGDGAALDHA
SCHEMBL797874 0.86 LDHA (0.44) KDM4EALDH1A1HPGDGAALDHA
SCHEMBL8853214 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDPDE10ACYP1A2
SCHEMBL14431116 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDLDHALDHB
SCHEMBL6135859 0.80 AGTR1 (0.48) KDM4EALDH1A1HPGDLDHALDHB
SCHEMBL22418967 0.80 LDHA (0.48) KDM4ELDHALDHBPPARGJUN
SCHEMBL797087 0.80 LDHA (0.56) KDM4EALDH1A1HPGDGAALDHA
SCHEMBL6364973 0.79 NR4A2 (0.46) KDM4EALDH1A1HPGDGAAMEN1

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 KDM4E 2385/4885ALDH1A1 1285/4885HPGD 4240/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 KDM4E 1200/4885ALDH1A1 591/4885HPGD 532/4885

“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.