SCHEMBL3221913

SCHEMBL3221913

C#CCOCC#CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10439424 0.76 MEN1 (0.48) MEN1ALDH1A1KMT2A
SCHEMBL3227738 0.75
SCHEMBL8908133 0.73
SCHEMBL19929696 0.73 MEN1 (0.32) MEN1ALDH1A1KMT2A
SCHEMBL27741471 0.72 TSHR (0.42) MEN1ALDH1A1KMT2A
SCHEMBL39635 0.72
SCHEMBL13259193 0.72
SCHEMBL10439421 0.70 MEN1 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL3202977 0.70 CA1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL6790137 0.69

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US claimed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP claimed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO claimed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 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-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 MEN1 450/4885ALDH1A1 336/4885KMT2A 2627/4885

“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.