SCHEMBL868480

SCHEMBL868480

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
AHR P35869 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ERN1 O75460 5/20 0.41
SRD5A2 P31213 1/20 0.40
MARS1 P56192 1/20 0.40
XDH P47989 1/20 0.38
HSD11B1 P28845 1/20 0.37
IDO1 P14902 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP1 Q9C000 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL17429171 0.82 ERN1 (0.53) TDP1ALDH1A1ERN1XDHIDO1
SCHEMBL868259 0.78 ERN1 (0.66) TDP1AHRERN1SRD5A2TSHR
SCHEMBL751101 0.77 AHR (0.43) AHRMAPTALDH1A1SRD5A2MARS1
SCHEMBL14525147 0.75 SLC1A3 (0.39) TDP1ERN1XDH
SCHEMBL10121175 0.75 CNR1 (0.33) AHRMAPTALDH1A1SRD5A2MARS1
SCHEMBL869054 0.75 CNR1 (0.33) AHRMAPTALDH1A1SRD5A2MARS1
SCHEMBL869053 0.75 CNR1 (0.33) AHRMAPTALDH1A1SRD5A2MARS1
SCHEMBL868613 0.74 TDP1 (0.45) TDP1AHRMAPTALDH1A1ERN1
SCHEMBL1725545 0.72 HSD17B10 (0.56) TDP1AHRMAPTALDH1A1SRD5A2
SCHEMBL15060592 0.72 AHR (0.52) AHRSRD5A2MARS1HSD11B1LMNA

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 14 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-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-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-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
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

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 TDP1 1099/4885AHR 154/4885MAPT 4670/4885
US-20140135508-A1 SPIRO EPOXIDES AS INTERMEDIATES CYP1A1, CYP2E1, GSTO1 TDP1 659/4885AHR 198/4885MAPT 4747/4885

“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.