SCHEMBL797600

SCHEMBL797600

CCCc1c2c(c(CCC)c(C(=O)O)c1C(=O)O)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
ABCC1 P33527 5/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
PTPN1 P18031 2/20 0.37
PTPN11 Q06124 1/20 0.37
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 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
SCHEMBL22418967 0.80 LDHA (0.48) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL796776 0.80 LDHA (0.44) ABCB11LDHALDHBL3MBTL1PTPN1
SCHEMBL797878 0.79 CNR2 (0.44) ABCB11ALDH1A1POLBTSHRMAPK1
SCHEMBL797104 0.78 LDHA (0.47) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL14989214 0.76 LDHA (0.46) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL14989262 0.76 LDHA (0.46) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL30563097 0.76 LDHA (0.46) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL14989236 0.75 LDHA (0.48) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL9698976 0.73 LDHA (0.47) LDHALDHBPTPN1PTPN11TDP1
SCHEMBL1444836 0.72 LDHA (0.51) ABCB11LDHALDHBALDH1A1POLB

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 ABCB11 4176/4885LDHA 2003/4885LDHB 2276/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 ABCB11 1212/4885LDHA 2792/4885LDHB 3121/4885

“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.