SCHEMBL471015

SCHEMBL471015

CCc1ccc(-c2ccc(Cl)c(OC)c2)cc1/C1=C(\O)CC2CCC(CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.36
HSD17B1 P14061 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
DYRK1A Q13627 1/20 0.34
ERN1 O75460 1/20 0.33
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
BRAF P15056 1/20 0.31
TP53 P04637 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SYK P43405 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
SCHEMBL10244074 0.88 PGR (0.36) HSD17B1ACACBACACASLC6A4SLC6A3
SCHEMBL468935 0.85 ACACB (0.36) HSD17B1ALDH1A1MAPTACACBACACA
SCHEMBL12119162 0.84 HSD17B1 (0.40) CHEK1HSD17B1ALDH1A1MAPTDYRK1A
SCHEMBL471738 0.82 COMT (0.37) ALDH1A1MAPTLMNAL3MBTL1ACACB
SCHEMBL11940725 0.82 HSD17B1 (0.46) CHEK1HSD17B1ALDH1A1MAPTDYRK1A
SCHEMBL10244015 0.81 CYP11B1 (0.31) HSD17B1ACACBACACA
SCHEMBL471731 0.81 CYP11B1 (0.31) HSD17B1ACACBACACA
SCHEMBL10245513 0.81 EDNRB (0.38) HSD17B1SLC6A3
SCHEMBL468909 0.80 ACACB (0.31) HSD17B1ACACBACACA
SCHEMBL10246765 0.80 HSD17B1 (0.34) HSD17B1SLC6A4SLC6A3

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 CHEK1 3540/4885HSD17B1 281/4885ALDH1A1 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.