SCHEMBL451891

SCHEMBL451891

CCc1ccc(-c2ccc(Cl)cc2F)cc1C1C(=O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FPR2 P25090 5/20 0.34
FPR1 P21462 3/20 0.34
PROKR1 Q8TCW9 2/20 0.33
CALML3 P27482 2/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
MME P08473 1/20 0.33
FASN P49327 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL451890 1.00 KLKB1 (0.36) KLKB1CYP11B1CYP11B2TAAR1ALOX5AP
SCHEMBL447278 0.97 KLKB1 (0.35) KLKB1CYP11B1CYP11B2TAAR1ALOX5AP
SCHEMBL447279 0.97 KLKB1 (0.35) KLKB1CYP11B1CYP11B2TAAR1ALOX5AP
SCHEMBL1316667 0.84 KLKB1 (0.36) KLKB1CYP11B1CYP11B2TAAR1ALOX5AP
SCHEMBL452407 0.84 TAAR1 (0.36) TAAR1BACE1HTR2AHTR2CHTR2B
SCHEMBL452406 0.84 TAAR1 (0.36) TAAR1BACE1HTR2AHTR2CHTR2B
SCHEMBL449376 0.81 TAAR1 (0.34) TAAR1BACE1HTR2AHTR2C
SCHEMBL449377 0.81 TAAR1 (0.34) TAAR1BACE1HTR2AHTR2C
SCHEMBL13366541 0.79 GRM2 (0.33) KLKB1CALML3CTSDBACE1MME
SCHEMBL13220505 0.78 ALOX5AP (0.41) KLKB1ALOX5APFEN1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KLKB1 4854/4885CYP11B1 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.