SCHEMBL430167

SCHEMBL430167

CCc1ccc(-c2ccc(Cl)cc2C)cc1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
P2RX7 Q99572 4/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
SUCNR1 Q9BXA5 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
MCHR1 Q99705 1/20 0.31
GCGR P47871 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DCK P27707 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL431331 0.96 ALDH1A1 (0.36) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL431302 0.90 EDNRB (0.42) P2RX7EDNRBEDNRA
SCHEMBL430119 0.88 KLKB1 (0.34) EDNRBEDNRA
SCHEMBL431046 0.88 EDNRB (0.38) EDNRBEDNRAACACBACACA
SCHEMBL6727380 0.87 ABL1 (0.35) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL432546 0.86 EDNRB (0.39) P2RX7EDNRBEDNRAALDH1A1
SCHEMBL18971255 0.85 ABL1 (0.38) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL12115993 0.85 ABL1 (0.38) ABL1P2RX7SUCNR1ACACBACACA
SCHEMBL431241 0.85 CALML3 (0.32) ALDH1A1
SCHEMBL431036 0.84 ACACB (0.35) EDNRBEDNRAACACBACACAALDH1A1

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 ABL1 672/4885P2RX7 1713/4885EDNRB 4122/4885

“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.