SCHEMBL431050

SCHEMBL431050

CCc1cc(C)cc(CC)c1C1=C(O)[C@H]2[C@H]3CC[C@H](CC3)[C@H]2C1=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAOA P21397 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
SCHEMBL431341 0.94 KMT2A (0.33) ALDH1A1GAA
SCHEMBL432581 0.86
SCHEMBL431100 0.83 MEN1 (0.36) ALDH1A1GAA
SCHEMBL15800407 0.82 LMNA (0.33) ALDH1A1GAAHPGDMAPK1PPARG
SCHEMBL10257443 0.82 LMNA (0.33) ALDH1A1GAAHPGDMAPK1PPARG
SCHEMBL13953329 0.82 LMNA (0.33) ALDH1A1GAAHPGDMAPK1PPARG
SCHEMBL10257062 0.82 LMNA (0.33) ALDH1A1GAAHPGDMAPK1PPARG
SCHEMBL431107 0.80 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL432223 0.80 SMN1; SMN2 (0.40) ALDH1A1
SCHEMBL432186 0.78 SMN1; SMN2 (0.43) ALDH1A1GAA

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
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 ALDH1A1 14/4885GAA 478/4885HPGD 2284/4885

“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.