SCHEMBL3228448

SCHEMBL3228448

COc1cc(O[Ti](C2=C(C(C)(C)C)C=CC2)=C(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 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
Hydrochloric Acid SCHEMBL715225 0.99
SCHEMBL3232719 0.87
SCHEMBL3828399 0.87 CA1 (0.30) CA1CA2
SCHEMBL8172298 0.86
Hydrochloric Acid SCHEMBL714663 0.86
Hydrochloric Acid SCHEMBL712474 0.86
SCHEMBL4078413 0.86 SMN1; SMN2 (0.32)
Hydrochloric Acid SCHEMBL3683569 0.85
Hydrochloric Acid SCHEMBL723338 0.85
SCHEMBL11897626 0.85

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063228-A1 TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-11 US 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-20100063228-A1 TRANSITION METAL COMPLEX, PROCESS FOR PRODUCING THE SAME, AND USE CPN1, CYC1, AP1M1 CA1 68/4885CA2 443/4885

“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.