SCHEMBL797071

SCHEMBL797071

CCc1c(CC)c(CC)c2cc3c(CC)c4cc5c(CC)c(C(=O)O)c(C(=O)O)c(CC)c5cc4c(CC)c3cc2c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.41
LDHB P07195 4/20 0.41
DHODH Q02127 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
PRNP P04156 1/20 0.36
CYP2C9 P11712 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL29489493 0.94 LDHA (0.44) LDHALDHBDHODHCYP1A2CYP2C19
SCHEMBL796843 0.83 LDHA (0.40) LDHALDHBDHODHCYP1A2CYP2C19
SCHEMBL29150788 0.79 ALDH1A1 (0.37) LDHALDHBDHODHCYP1A2CYP2C19
SCHEMBL797431 0.79 CA12 (0.38) CYP1A2HIF1ANPSR1RXFP1GABRA1
SCHEMBL14989322 0.77 ALDH1A1 (0.36) LDHALDHBDHODHCYP1A2CYP2C19
SCHEMBL8853214 0.77 KDM4E (0.47) DHODHCYP1A2CYP2C19RXFP1HSD17B10
SCHEMBL8573447 0.77 ALDH1A1 (0.39) LDHALDHBDHODHCYP1A2CYP2C19
SCHEMBL10079127 0.76 CA12 (0.39) CYP1A2HIF1ANPSR1RXFP1GABRA1
SCHEMBL797087 0.73 LDHA (0.56) LDHALDHBPPARGRXFP1PTPN1
SCHEMBL27845391 0.73 KDM4E (0.44) DHODHCYP1A2CYP2C19RXFP1HSD17B10

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 3121/4885DHODH 3406/4885

“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.