SCHEMBL431341

SCHEMBL431341

CCc1cc(C)cc(CC)c1C1=C(O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL431050 0.94 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL432186 0.84 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2MCOLN3ALDH1A1
SCHEMBL432581 0.83
SCHEMBL10257062 0.80 LMNA (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL13953329 0.80 LMNA (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL10257443 0.80 LMNA (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL15800407 0.80 LMNA (0.33) SMN1; SMN2ALDH1A1GAA
SCHEMBL10187562 0.78 MEN1 (0.35) KMT2AMEN1SMN1; SMN2MCOLN3ALDH1A1
SCHEMBL431100 0.78 MEN1 (0.36) KMT2AMEN1SMN1; SMN2MCOLN3ALDH1A1
SCHEMBL432223 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1

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 3 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
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 KMT2A 674/4885MEN1 4280/4885SMN1; SMN2 2952/4885

“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.