SCHEMBL7640433

SCHEMBL7640433

O=C1C=C2CCCCCCCCCCC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.48
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 2/20 0.34
PTPN1 P18031 2/20 0.33
DAO P14920 2/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
CDC25B P30305 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CEL P19835 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7638703 1.00 TLR4 (0.48) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL7635039 1.00 TLR4 (0.48) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL7640144 1.00 TLR4 (0.48) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL7640959 1.00 TLR4 (0.48) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL7640330 1.00 TLR4 (0.48) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL7644421 0.98 TLR4 (0.50) TLR4ALDH1A1LMNAMAOAMAOB
SCHEMBL1867176 0.91
SCHEMBL5201714 0.85 TLR4 (0.55) TLR4MAOAMAOBKMT2APTPN1
SCHEMBL9609547 0.85 TLR4 (0.50) TLR4ALDH1A1MAOAMAOBKMT2A
SCHEMBL1022576 0.83 TLR4 (0.52) TLR4ALDH1A1LMNAMAOAMAOB

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-6482966-B2 REDUCING A CROSSLINK-CYCLIZED CYCLOPENTANONE WITH AN ALKALI METAL HYDRIDE, AND THEN REATING THE RESULTING CROSSLINK-CYCLIZED CYCLOPENTENOL IS WITH A DEHYDRATING AGENT HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2002-11-19 US disclosed
US-20010012902-A1 Crosslink-cyclized cyclopentadiene and dihalobis type metal compound containing same as ligand HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2001-08-09 US disclosed
EP-1122229-A1 Process for the preparation of condensed cyclopentadiene derivatives, 1, 3 disubstituted derivatives and metallocene type compounds containing them as ligand HONSHU CHEMICAL INDUSTRY CO. LTD. (JP) 2001-08-08 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-20010012902-A1 Crosslink-cyclized cyclopentadiene and dihalobis type metal compound containing same as ligand CYC1, DCLRE1A, PPIL1 TLR4 4259/4885ALDH1A1 1309/4885LMNA 1785/4885

“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.