SCHEMBL3202977

SCHEMBL3202977

C=CCOCC#CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CA7 P43166 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7147398 0.80 CA1 (0.37) CA1CA2CA9MEN1POLB
Isobutane SCHEMBL27399073 0.77 CA1 (0.44) CA1CA2CA9MEN1POLB
SCHEMBL1662276 0.76
SCHEMBL3227738 0.73
SCHEMBL10913349 0.73
SCHEMBL2951332 0.72 CA1 (0.35) CA1CA2CA7
SCHEMBL2951333 0.72 CA1 (0.35) CA1CA2CA7
SCHEMBL8908133 0.71
SCHEMBL30202283 0.71 ALDH1A1 (0.33) MEN1POLBKMT2AALDH1A1
SCHEMBL3202967 0.71 MEN1 (0.32) CA1CA2MEN1POLBKMT2A

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 CA1 2294/4885CA2 887/4885CA9 1034/4885

“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.