SCHEMBL10144504

SCHEMBL10144504

C=C1OC(C)(C)C(=O)C(c2cc(Br)ccc2CC)=C1O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
STK17B O94768 1/20 0.31
CES1 P23141 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
SCHEMBL13077976 0.91 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL13240714 0.81 PGR (0.38)
SCHEMBL10121047 0.79 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL10144348 0.77 HTR2B (0.32) CA1CA2CA4CA7CA9
SCHEMBL10144412 0.76 PBRM1 (0.35) BCL2MCL1ESR1ESR2STK17B
SCHEMBL13219394 0.72 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL13219506 0.71 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL13078221 0.71 CA1 (0.36) CA1CA2CA4CA7CA9
SCHEMBL10121055 0.71 PBRM1 (0.32) CA1CA2CA4CA7CA9
SCHEMBL12128946 0.70 TDP2 (0.34) ESR1ESR2

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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, CYP1B1 CA1 2525/4885CA2 2555/4885CA4 1704/4885

“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.