SCHEMBL468920

SCHEMBL468920

CCc1ccc(-c2ccc(Cl)cc2F)cc1/C1=C(\O)CC2CCC(CC2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FASN P49327 1/20 0.32
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
CALML3 P27482 2/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 0.31
CXCR3 P49682 2/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
AKR1C3 P42330 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
AKR1C2 P52895 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL10245513 0.89 EDNRB (0.38) HSD17B1
SCHEMBL10244930 0.89 ACACB (0.31)
SCHEMBL10246594 0.88 ABL1 (0.37) ADRB1ADRB3HSD17B1
SCHEMBL466150 0.87 HPD (0.31) HPDCYP11B1CYP11B2CXCR3
SCHEMBL468935 0.87 ACACB (0.36) HSD17B1
SCHEMBL10244288 0.87
SCHEMBL471731 0.85 CYP11B1 (0.31) CYP11B1CYP11B2HSD17B1
SCHEMBL10244015 0.85 CYP11B1 (0.31) CYP11B1CYP11B2HSD17B1
SCHEMBL468909 0.84 ACACB (0.31) CYP11B1CYP11B2HSD17B1
SCHEMBL12119021 0.84 HSD17B1 (0.38) HPDCYP11B1CYP11B2FASNAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HPD 46/4885CYP11B1 745/4885CYP11B2 992/4885

“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.