SCHEMBL11940682

SCHEMBL11940682

CCc1ccc(-c2ccc(Cl)c(OC)c2)cc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
HSD17B1 P14061 2/20 0.37
ACACB O00763 8/20 0.35
ACACA Q13085 8/20 0.35
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PGR P06401 1/20 0.33
ERN1 O75460 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
KMO O15229 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RAD51 Q06609 1/20 0.32
PTPN11 Q06124 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
SCHEMBL11940681 0.88 PGR (0.44) HSD17B1ACACBACACAPGRRARA
SCHEMBL11940686 0.85 ACACB (0.44) HSD17B1ACACBACACAPGR
SCHEMBL11940676 0.85 ACACB (0.41) HSD17B1ACACBACACAPGRRARA
SCHEMBL11940743 0.84 CHEK1 (0.39) CHEK1HSD17B1ACACBACACADYRK1A
SCHEMBL12119162 0.84 HSD17B1 (0.40) CHEK1HSD17B1DYRK1AALDH1A1MAPT
SCHEMBL11940696 0.83 AHR (0.34) HSD17B1PGRRARARARBRARG
SCHEMBL11940684 0.82 COMT (0.37) ACACBACACAALDH1A1MAPTPGR
SCHEMBL11940725 0.82 HSD17B1 (0.46) CHEK1HSD17B1DYRK1AALDH1A1MAPT
SCHEMBL11940692 0.81 ACACB (0.33) HSD17B1ACACBACACAPGR
SCHEMBL11940694 0.81 P2RX7 (0.36) HSD17B1ACACBACACAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-8741806-B2 Herbicides SYNGENTA LIMITED (GB) 2014-06-03 US disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
US-20120190545-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-26 US disclosed
WO-2011006543-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2011-01-20 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-20120190545-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 CHEK1 3266/4885HSD17B1 320/4885ACACB 1002/4885

“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.