SCHEMBL431272

SCHEMBL431272

CCc1ccc(-c2ccc(Cl)cc2)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2C1=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ACACB O00763 4/20 0.34
ACACA Q13085 4/20 0.34
ALDH1A1 P00352 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 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
SCHEMBL432716 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNAMEN1KMT2A
SCHEMBL432710 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNAMEN1KMT2A
SCHEMBL430149 1.00 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1LMNAMEN1KMT2A
SCHEMBL13065685 0.84 ACACB (0.35) MEN1KMT2AACACBACACAEDNRB
SCHEMBL432177 0.84 ACACB (0.35) MEN1KMT2AACACBACACAEDNRB
SCHEMBL432195 0.83 EDNRB (0.34) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL431046 0.83 EDNRB (0.38) ACACBACACAEDNRBEDNRAJAK2
SCHEMBL13065648 0.82 ACACB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL13065046 0.82 ACACB (0.34) ACACBACACAEDNRBEDNRA
SCHEMBL431036 0.81 ACACB (0.35) SMN1; SMN2MEN1KMT2AACACBACACA

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 SMN1; SMN2 2952/4885NPSR1 1600/4885LMNA 4657/4885

“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.