SCHEMBL608104

SCHEMBL608104

Cc1sc(-c2ccc(C(=O)O)cc2)cc1C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARG P13631 5/20 0.42
RARB P10826 4/20 0.42
CSNK2A1 P68400 3/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RARA P10276 4/20 0.35
IKBKB O14920 2/20 0.35
ALOX5 P09917 1/20 0.34
CSNK2A2 P19784 2/20 0.33
CREBBP Q92793 1/20 0.33
CSNK2B P67870 1/20 0.33
RORC P51449 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
HSD17B2 P37059 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
SCHEMBL10237949 1.00 RARG (0.42) RARGRARBCSNK2A1RXRARXRB
SCHEMBL10237953 0.87 KDM4E (0.40) IKBKBALOX5
SCHEMBL607594 0.87 KDM4E (0.40) IKBKBALOX5
SCHEMBL10237948 0.84 MAPT (0.38) IKBKB
SCHEMBL10237874 0.75 RARB (0.50) RARGRARBCSNK2A1RARACSNK2A2
SCHEMBL13058475 0.71 MAPT (0.38) IKBKBALOX5
SCHEMBL13082542 0.68 L3MBTL1 (0.37) IKBKB
SCHEMBL16215991 0.67
SCHEMBL10238053 0.65 RARB (0.39) RARGRARBRARA
SCHEMBL1422581 0.64 RARG (0.66) RARGRARBCREBBP

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 EP disclosed
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 EP disclosed
US-8598365-B2 Herbicides SYNGENTA LIMITED (GB) 2013-12-03 US disclosed
US-8541594-B2 2013-09-24 US disclosed
US-8541594-B2 2013-09-24 US disclosed
US-8541594-B2 2013-09-24 US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 US disclosed
EP-2176222-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-21 EP disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 WO disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 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 (1 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC RARG 710/4885RARB 551/4885CSNK2A1 4557/4885

“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.