SCHEMBL797601

SCHEMBL797601

CCCc1c(CCC)c(CCC)c2c(c1CCC)Cc1c(c(CCC)c3cc4c(CCC)c5c(c(CCC)c4cc3c1CCC)Cc1c(CCC)c(CCC)c(CCC)c(CCC)c1C5)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
ALDH1A1 P00352 4/20 0.35
ALDH1A2 O94788 3/20 0.35
ALDH2 P05091 3/20 0.35
ALDH1B1 P30837 3/20 0.35
ALDH1A3 P47895 3/20 0.35
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B3 P37058 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
SCHEMBL797683 0.88 LDHA (0.33) LDHALDHBPDE3BPDE3A
SCHEMBL796456 0.85 KDM4E (0.30) ALDH1A1KDM4EGAAHPGD
SCHEMBL14804868 0.85 LDHA (0.31) LDHALDHB
SCHEMBL797126 0.83
SCHEMBL797847 0.83 KDM4E (0.47) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL1444836 0.80 LDHA (0.51) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL797234 0.80 ALDH1A1 (0.39) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL796709 0.77 MEN1 (0.39) LDHALDHBALDH1A1KDM4EHPGD
SCHEMBL797175 0.73 ABCB11 (0.33) ALDH1A1KDM4EGAAHPGD
SCHEMBL797344 0.70 ALDH1A1 (0.33) LDHALDHBALDH1A1ALDH1A2ALDH2

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 3121/4885ALDH1A1 591/4885

“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.