SCHEMBL431107

SCHEMBL431107

CCc1cc(C)cc(CC)c1C1=C(O)[C@@H]2[C@H](C1=O)[C@@H]1CC[C@H]2C1=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL432223 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1NPSR1TAAR1
SCHEMBL471009 0.85 LMNA (0.34) SMN1; SMN2LMNAALDH1A1NPSR1
SCHEMBL432581 0.80
SCHEMBL431050 0.80 ALDH1A1 (0.31) ALDH1A1
SCHEMBL431341 0.77 KMT2A (0.33) SMN1; SMN2ALDH1A1
SCHEMBL10257062 0.76 LMNA (0.33) SMN1; SMN2LMNAALDH1A1
SCHEMBL15800407 0.76 LMNA (0.33) SMN1; SMN2LMNAALDH1A1
SCHEMBL13953329 0.76 LMNA (0.33) SMN1; SMN2LMNAALDH1A1
SCHEMBL10257443 0.76 LMNA (0.33) SMN1; SMN2LMNAALDH1A1
SCHEMBL468930 0.76

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 2952/4885LMNA 4657/4885ALDH1A1 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.