SCHEMBL869942

SCHEMBL869942

CC1(C)OC(C)(C)/C(=C/c2cc(-c3ccc(Cl)cc3)ccc2C(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.40
PTPN1 P18031 1/20 0.37
PGR P06401 1/20 0.36
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PLEC Q15149 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
CRHR2 Q13324 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
SCHEMBL869943 1.00 PTP4A3 (0.40) PTP4A3PTPN1PGRLMNAGAA
SCHEMBL15695219 1.00 PTP4A3 (0.40) PTP4A3PTPN1PGRLMNAGAA
SCHEMBL868682 0.81 PGR (0.39) PTPN1PGRLMNAGAASMN1; SMN2
SCHEMBL868681 0.81 PGR (0.39) PTPN1PGRLMNAGAASMN1; SMN2
SCHEMBL10121104 0.81 PGR (0.39) PTPN1PGRLMNAGAASMN1; SMN2
SCHEMBL10121058 0.73 ACACB (0.39) PGRLMNAGAAKDM4EMEN1
SCHEMBL869025 0.72 PGR (0.39) PGRLMNAGAAKDM4EMEN1
SCHEMBL867619 0.72 KIF11 (0.50) PTP4A3LMNAGAAKDM4EMEN1
SCHEMBL869053 0.69 CNR1 (0.33) PTPN1PGRLMNAGAASMN1; SMN2
SCHEMBL10121175 0.69 CNR1 (0.33) PTPN1PGRLMNAGAASMN1; SMN2

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 6 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-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-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 PTP4A3 343/4885PTPN1 636/4885PGR 1121/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 PTP4A3 302/4885PTPN1 420/4885PGR 1054/4885

“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.