SCHEMBL10121185

SCHEMBL10121185

CC1(C)OC(C)(C)C(O)=C(c2cc(Br)ccc2OC(F)F)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.35
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 2/20 0.30
GAA P10253 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL10121083 0.83 MAOA (0.33) PTGER1BCL2MCL1CA1CA2
SCHEMBL10144348 0.81 HTR2B (0.32) PTGER1BCL2MCL1CA1CA2
SCHEMBL10121115 0.80 NMUR2 (0.40) BCL2MCL1CA1CA2CA4
SCHEMBL13219206 0.78 CA9 (0.38) BCL2MCL1CA1CA2CA4
SCHEMBL10121069 0.77 CA9 (0.37) BCL2MCL1CA1CA2CA4
SCHEMBL13219208 0.77 CA1 (0.37) BCL2MCL1CA1CA2CA4
SCHEMBL10121047 0.76 CA1 (0.36) BCL2MCL1CA1CA2CA4
SCHEMBL17300359 0.76 CA9 (0.38) BCL2MCL1CA1CA2CA4
SCHEMBL10192820 0.75 CA1 (0.37) BCL2MCL1CA1CA2CA4
SCHEMBL10195063 0.73 CA1 (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 8 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
WO-2010136431-A9 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2011-03-10 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 PTGER1 59/4885BCL2 1808/4885MCL1 3613/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 PTGER1 74/4885BCL2 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.