SCHEMBL1444836

SCHEMBL1444836

CCCc1c2c(c(CCC)c(C(=O)O)c1C(=O)O)Cc1c(c(CCC)c3cc4c(CCC)c(CCC)c(CCC)c(CCC)c4cc3c1CCC)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.51
LDHB P07195 3/20 0.51
PTPN1 P18031 4/20 0.38
PTPN11 Q06124 3/20 0.38
PTPN2 P17706 2/20 0.34
JUN P05412 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCB11 O95342 1/20 0.33
PPARG P37231 1/20 0.33
PSMD14 O00487 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ALDH1A2 O94788 1/20 0.31

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
SCHEMBL796776 0.86 LDHA (0.44) LDHALDHBPTPN1PTPN11JUN
SCHEMBL797087 0.86 LDHA (0.56) LDHALDHBPTPN1PTPN11PTPN2
SCHEMBL797608 0.84 LDHA (0.54) LDHALDHBPTPN1PTPN11PTPN2
SCHEMBL797874 0.84 LDHA (0.44) LDHALDHBKDM4EALDH1A1PPARG
SCHEMBL796709 0.83 MEN1 (0.39) LDHALDHBKDM4EALDH1A1RXFP1
SCHEMBL797601 0.80 LDHA (0.36) LDHALDHBKDM4EALDH1A1TSHR
SCHEMBL796843 0.77 LDHA (0.40) LDHALDHBPTPN1PTPN11ALDH1A1
SCHEMBL797416 0.76 LDHA (0.49) LDHALDHBPTPN1PTPN11KDM4E
SCHEMBL10079139 0.75 MEN1 (0.38) LDHALDHBKDM4EALDH1A1RXFP1
SCHEMBL797104 0.74 LDHA (0.47) LDHALDHBPTPN1PTPN11PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3121/4885PTPN1 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.