SCHEMBL7640523

SCHEMBL7640523

CC(C)C1CCC2CCC/C=C\C=C/21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33

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
SCHEMBL7640533 1.00 TLR4 (0.33) TLR4
SCHEMBL7640432 0.95 TLR4 (0.32) TLR4
SCHEMBL7640438 0.95 TLR4 (0.32) TLR4
SCHEMBL7633616 0.93 TLR4 (0.31) TLR4
SCHEMBL7635027 0.93 TLR4 (0.31) TLR4
SCHEMBL7633612 0.93 TLR4 (0.31) TLR4
SCHEMBL7635020 0.93 TLR4 (0.31) TLR4
SCHEMBL7941621 0.93 TLR4 (0.31) TLR4
SCHEMBL7941620 0.93 TLR4 (0.31) TLR4
SCHEMBL7633670 0.89 TLR4 (0.34) TLR4

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 4259/4885

“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.