SCHEMBL3221908

SCHEMBL3221908

C#CCOCC#C[C](C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.33

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) MEN1ALDH1A1KMT2ATSHR
SCHEMBL3227729 0.75 — —
SCHEMBL27741471 0.72 TSHR (0.42) MEN1ALDH1A1KMT2ATSHR
SCHEMBL39635 0.72 — —
SCHEMBL13259193 0.72 — —
Alcohol SCHEMBL28661859 0.71 ALDH1A1 (0.40) MEN1ALDH1A1KMT2ATSHR
SCHEMBL10439421 0.70 MEN1 (0.45) MEN1ALDH1A1KMT2ATSHR
SCHEMBL28106392 0.70 TSHR (0.35) MEN1ALDH1A1KMT2ATSHR
SCHEMBL6734112 0.70 — —
SCHEMBL13259139 0.70 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ATSHR

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.

Send feedback