SCHEMBL1445196

SCHEMBL1445196

CCCc1c2c(c(CCC)c3c1Cc1c(c(CCC)c4cc5c(CCC)c6c(c(CCC)c5cc4c1CCC)Cc1c(CCC)c4c(c(CCC)c1C6)CCCC4)C3)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 5/20 0.32
ALDH1A2 O94788 2/20 0.32
ALDH2 P05091 2/20 0.32
ALDH1B1 P30837 2/20 0.32
ALDH1A3 P47895 2/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL797816 0.85 KDM4E (0.42) ABCB11KDM4EALDH1A1HPGDTSHR
SCHEMBL797601 0.84 LDHA (0.36) LDHALDHBKDM4EALDH1A1ALDH1A2
SCHEMBL797175 0.84 ABCB11 (0.33) ABCB11KDM4EALDH1A1HPGDGAA
SCHEMBL797598 0.81 ABCB11 (0.36) ABCB11LDHALDHBKDM4EALDH1A1
SCHEMBL797683 0.73 LDHA (0.33) LDHALDHB
SCHEMBL797126 0.71
SCHEMBL1444836 0.70 LDHA (0.51) ABCB11LDHALDHBKDM4EALDH1A1
SCHEMBL14804868 0.70 LDHA (0.31) LDHALDHB
SCHEMBL22251965 0.69 MAPT (0.53) ABCB11ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL796456 0.69 KDM4E (0.30) KDM4EALDH1A1HPGDGAA

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 2 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

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 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.