SCHEMBL10245513

SCHEMBL10245513

CCc1ccc(-c2ccc(Cl)cc2Cl)cc1/C1=C(\O)CC2CCC(CC2)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
MARS1 P56192 3/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
SRD5A2 P31213 1/20 0.33
P2RX7 Q99572 6/20 0.32
PTGS2 P35354 1/20 0.32
CNR1 P21554 1/20 0.32
USP30 Q70CQ3 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HSD17B1 P14061 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
SCHEMBL10246594 0.90 ABL1 (0.37) P2RX7HSD17B1
SCHEMBL468920 0.89 HPD (0.33) HSD17B1
SCHEMBL468935 0.89 ACACB (0.36) EDNRBEDNRAHSD17B1
SCHEMBL10244074 0.85 PGR (0.36) SLC6A3HSD17B1
SCHEMBL471731 0.85 CYP11B1 (0.31) HSD17B1
SCHEMBL10244015 0.85 CYP11B1 (0.31) HSD17B1
SCHEMBL468909 0.84 ACACB (0.31) HSD17B1
SCHEMBL10244288 0.84
SCHEMBL12119099 0.83 HSD17B1 (0.40) EDNRBEDNRAMARS1PDK1PDK2
SCHEMBL10244930 0.83 ACACB (0.31)

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 EDNRB 4122/4885EDNRA 4159/4885MARS1 2714/4885

“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.