SCHEMBL6920738

SCHEMBL6920738

COCOCC(C)(C)c1cc(Br)cc(C(C)(C)C)c1OCOC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
HMGCR P04035 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
SCHEMBL6830075 0.82 HMGCR (0.32) HMGCR
SCHEMBL17291956 0.78 PTGDR2 (0.35) PTGDR2
SCHEMBL1729127 0.77 PTGDR2 (0.37) PTGDR2
SCHEMBL1729169 0.75 PTGDR2 (0.35) PTGDR2
SCHEMBL1729069 0.75 ALDH1A1 (0.41) PTGDR2
SCHEMBL8807107 0.71 ALDH1A1 (0.39)
SCHEMBL5086986 0.69 CYP2D6 (0.38)
SCHEMBL6033258 0.69 ALDH1A1 (0.36)
SCHEMBL28734927 0.69 CA2 (0.46)
SCHEMBL9161090 0.68 DHFR (0.38)

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
US-6743923-B2 A BENZYLIDENE DERIVATIVES USED FOR OSTEOCLAST FORMATION INHIBITION, A NITROGEN MONOXIDE PRODUCTION INHIBITION, AND A TRANSCRIPTION FACTOR NF KAPPA B SUPRESSING AGENT SHIONOGI & CO., LTD. (JP) 2004-06-01 US disclosed
US-20030125364-A1 Antirheumatic agent MATSUMOTO SAICHI (JP) 2003-07-03 US disclosed
US-6525081-B1 Inhibiting osteoclast formation and nitrogen monoxide production; suppressing transcription factor NF kappa B SHIONOGI & CO., LTD. (JP) 2003-02-25 US disclosed
EP-1026162-A1 ANTIRHEUMATIC SHIONOGI & CO., LTD. (JP) 2000-08-09 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-20030125364-A1 Antirheumatic agent IL1A, IL1B, IL17A PTGDR2 267/4885HMGCR 398/4885

“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.