SCHEMBL430170

SCHEMBL430170

CCc1ccc(-c2ccc(Cl)c(OC)c2)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
BRAF P15056 1/20 0.33
ERN1 O75460 1/20 0.33
HSD17B1 P14061 1/20 0.33
KMO O15229 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
FYN P06241 1/20 0.31
RIPK2 O43353 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL432196 0.88 S1PR1 (0.34) HTTACACBACACAEDNRBEDNRA
SCHEMBL6727327 0.87 CHEK1 (0.35) CHEK1DYRK1AALDH1A1MAPTBRAF
SCHEMBL18873957 0.87 CHEK1 (0.35) CHEK1DYRK1AALDH1A1MAPTBRAF
SCHEMBL431058 0.85 ACACB (0.40) ACACBACACA
SCHEMBL431046 0.85 EDNRB (0.38) HSD17B1ACACBACACAEDNRBEDNRA
SCHEMBL13065688 0.84 S1PR1 (0.33) HTTACACBACACA
SCHEMBL431335 0.84 S1PR1 (0.33) HTTACACBACACA
SCHEMBL432704 0.82 COMT (0.39) ALDH1A1MAPTL3MBTL1ACACBACACA
SCHEMBL432210 0.81 ACACB (0.39) ACACBACACA
SCHEMBL431093 0.81 KLKB1 (0.34) ACACBACACA

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 2 patents. 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
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 CHEK1 3540/4885DYRK1A 1413/4885ALDH1A1 14/4885

“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.