SCHEMBL11940693

SCHEMBL11940693

CCc1ccc(-c2ccc(Cl)c(Cl)c2F)cc1C1=C(O)C(C)(C)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.33
ACACA Q13085 6/20 0.33
PGR P06401 1/20 0.33
HSD17B1 P14061 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
AKR1C3 P42330 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
AKR1C2 P52895 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL11940692 0.93 ACACB (0.33) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940691 0.92 ACACB (0.33) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940686 0.86 ACACB (0.44) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940681 0.85 PGR (0.44) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940695 0.84 FASN (0.36) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940694 0.84 P2RX7 (0.36) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940696 0.84 AHR (0.34) PGRHSD17B1ESR1ESR2
SCHEMBL12119169 0.84 HSD17B1 (0.38) HSD17B1
SCHEMBL11940689 0.82 ACACB (0.34) ACACBACACAPGRHSD17B1ESR1
SCHEMBL11940719 0.82 HSD17B1 (0.34) HSD17B1

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 ACACB 1002/4885ACACA 1274/4885PGR 4708/4885

“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.