SCHEMBL21940584

SCHEMBL21940584

CC1CC(=O)C2=C1CCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL4288322 0.95 CA1 (0.38) CA1CA2CA4KMT2A
SCHEMBL11572154 0.93 KMT2A (0.40) CA1CA2CA4KMT2A
SCHEMBL8419229 0.93 KMT2A (0.40) CA1CA2CA4KMT2A
SCHEMBL22388204 0.74 TLR4 (0.33) CA1CA2CA4KMT2A
SCHEMBL22388203 0.74 TLR4 (0.33) CA1CA2CA4KMT2A
SCHEMBL20464012 0.71 — —
SCHEMBL4290685 0.71 — —
SCHEMBL19141681 0.70 CA1 (0.35) CA1CA2CA4KMT2A
SCHEMBL4290970 0.66 CA1 (0.32) CA1CA2CA4KMT2A
SCHEMBL21812504 0.66 POLB (0.39) KMT2A

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
EP-3856709-B1 SYNTHESIS OF CYCLOPENTENONES DOW GLOBAL TECHNOLOGIES LLC (US) 2024-06-26 — — EP disclosed
US-20210221761-A1 SYNTHESIS OF SUBSTITUTED CYCLOPENTADIENE COMPOUNDS AND METALLOCENES DOW GLOBAL TECHNOLOGIES LLC (US) 2021-07-22 — — US disclosed
US-20210206709-A1 SYNTHESIS OF CYCLOPENTENONES DOW GLOBAL TECHNOLOGIES LLC 2021-07-08 — — US disclosed
WO-2020068420-A1 SYNTHESIS OF SUBSTITUTED CYCLOPENTADIENE COMPOUNDS AND METALLOCENES DOW GLOBAL TECHNOLOGIES LLC (US) 2020-04-02 — — WO 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-20210221761-A1 SYNTHESIS OF SUBSTITUTED CYCLOPENTADIENE COMPOUNDS AND METALLOCENES MSMO1, NOTUM, GGPS1 CA1 661/4885CA2 1357/4885CA4 562/4885
US-20210206709-A1 SYNTHESIS OF CYCLOPENTENONES FDPS, COASY, DHPS CA1 2944/4885CA2 2741/4885CA4 1811/4885

“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.

Send feedback