SCHEMBL877352

SCHEMBL877352

O=C1CC(=O)C(c2ccccc2)C(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
CYP1A2 P05177 4/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HTR2B P41595 1/20 0.50
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
MAOA P21397 7/20 0.41
MAOB P27338 7/20 0.41
KDM1A O60341 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL5315718 0.79 CYP1A2 (0.54) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL30873765 0.76 ANPEP (0.60) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL31499292 0.76 MAPT (0.47) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL4959541 0.76 ANPEP (0.60) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL7213386 0.75 MAPT (0.50) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL17898477 0.75 MAPT (0.57) MAPTGAATP53MAPK1CFTR
SCHEMBL876380 0.73 CYP1A2 (0.48) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL876024 0.73 CYP1A2 (0.48) MAPTGAACYP1A2LMNACYP3A4
SCHEMBL1751794 0.72 DDB1 (0.50) MAPTGAATP53CFTRGOPC
SCHEMBL17616704 0.69 ALDH1A1 (0.45) MAPTGAACYP1A2LMNACYP3A4

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 23 patents — showing the first 20. 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-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
CN-102448948-B Spiro Epoxides AS Intermediates SYNGENTA LTD 2014-08-13 CN 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
CN-101918386-B 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LTD 2013-11-13 CN disclosed
WO-2012175899-A1 HERBICIDAL COMPOSITION COMPRISING A PYRANDIONE HERBICIDE AND A SULFONYL UREA HERBICIDE SYNGENTA LIMITED (GB) 2012-12-27 WO 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-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
WO-2010136431-A1 SPIRO EPOXIDES AS INTERMEDIATES SYNGENTA LIMITED (GB) 2010-12-02 WO disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2222657-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES Syngenta Limited (GB) 2010-09-01 EP disclosed
EP-2222657-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES Syngenta Limited (GB) 2010-09-01 EP disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 WO disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 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 (3 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 MAPT 4670/4885GAA 2609/4885CYP1A2 5/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 MAPT 4747/4885GAA 2250/4885CYP1A2 9/4885
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 MAPT 2441/4885GAA 2983/4885CYP1A2 10/4885

“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.