SCHEMBL10121175

SCHEMBL10121175

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1/C=C1/C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
PTGS2 P35354 1/20 0.33
MARS1 P56192 2/20 0.32
AHR P35869 1/20 0.32
PTPN1 P18031 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
SRD5A2 P31213 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
POLB P06746 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL869054 1.00 CNR1 (0.33) CNR1CNR2PTGS2MARS1AHR
SCHEMBL869053 1.00 CNR1 (0.33) CNR1CNR2PTGS2MARS1AHR
SCHEMBL868556 0.82 EDNRB (0.34) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL10121167 0.82 EDNRB (0.34) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL868557 0.82 EDNRB (0.34) CNR1CNR2PTGS2MAPTALDH1A1
SCHEMBL12389364 0.77 PTGS2 (0.36) CNR1CNR2PTGS2MARS1AHR
SCHEMBL12101825 0.77 PTGS2 (0.38) CNR1CNR2PTGS2MARS1AHR
SCHEMBL10121172 0.76 PTGS2 (0.37) CNR1CNR2PTGS2MARS1AHR
SCHEMBL868480 0.75 TDP1 (0.47) MARS1AHRSMN1; SMN2LMNASRD5A2
SCHEMBL867011 0.74 LMNA (0.38) SMN1; SMN2LMNAGAAPOLBMAPT

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 9 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

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 CNR1 1599/4885CNR2 2246/4885PTGS2 221/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 CNR1 1512/4885CNR2 2182/4885PTGS2 281/4885

“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.