SCHEMBL10121055

SCHEMBL10121055

CCc1ccc(Br)cc1C1=C(O)C(C)(C)OC(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.32
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CUL4A Q13619 1/20 0.30
STK17B O94768 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
SCHEMBL12129018 0.82 ACACB (0.36)
SCHEMBL13273413 0.78 ESR1 (0.31) ESR1ESR2
SCHEMBL10121047 0.78 CA1 (0.36) BCL2MCL1CA1CA2CA4
SCHEMBL12129136 0.78 PTGS2 (0.35)
SCHEMBL10144412 0.78 PBRM1 (0.35) PBRM1BCL2MCL1ESR1ESR2
SCHEMBL13041984 0.73 LMNA (0.35) PBRM1BCL2MCL1CA1CA2
SCHEMBL13219394 0.71 CA1 (0.37) BCL2MCL1CA1CA2CA4
SCHEMBL10144504 0.71 CA1 (0.35) BCL2MCL1CA1CA2CA4
SCHEMBL18874111 0.71 ESR1 (0.34) BCL2MCL1CA1CA2CA4
SCHEMBL10225614 0.71 ESR1 (0.34) BCL2MCL1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-8987476-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2015-03-24 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2014-05-15 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-8680299-B2 Spiro epoxides as intermediates SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
US-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-29 US disclosed
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 WO disclosed
WO-2010136431-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2010-12-02 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-20120077993-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, CYP1B1 PBRM1 3466/4885BCL2 1808/4885MCL1 3613/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 PBRM1 3396/4885BCL2 1018/4885MCL1 3231/4885

“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.