SCHEMBL797250

SCHEMBL797250

CCCc1c(CCC)c(CCC)c2cc3c(CCC)c4cc(I)c(I)cc4c(CCC)c3cc2c1CCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LDHA P00338 2/20 0.33
LDHB P07195 2/20 0.33
ALDH1A2 O94788 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH1B1 P30837 1/20 0.32
ALDH1A3 P47895 1/20 0.32

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
SCHEMBL14804869 0.95 PDE3B (0.37) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL797234 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL796530 0.83 KDM4E (0.52) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL797683 0.79 LDHA (0.33) PDE3BPDE3ALDHALDHB
SCHEMBL796895 0.77 KDM4E (0.55) ALDH1A1KDM4EGAAHPGDLDHA
SCHEMBL797598 0.75 ABCB11 (0.36) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL797344 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL797401 0.74 LDHA (0.37) ALDH1A1KDM4EGAAHPGDPDE3B
SCHEMBL14804868 0.72 LDHA (0.31) LDHALDHB
SCHEMBL797608 0.71 LDHA (0.54) ALDH1A1KDM4EGAAHPGDLDHA

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 8 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 claimed
US-7901594-B2 Electroconductivity JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2011-03-08 US claimed
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 ALDH1A1 1285/4885KDM4E 2385/4885GAA 3506/4885
US-20030116755-A1 Polyacene derivatives and production thereof CBR1, HVCN1, H1-0 ALDH1A1 591/4885KDM4E 1200/4885GAA 4551/4885

“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.