SCHEMBL1987290

SCHEMBL1987290

CCCCC(C[C](C)C)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.41
ALDH1A1 P00352 1/20 0.32
CA2 P00918 2/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
CA1 P00915 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DNM1 Q05193 2/20 0.31
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRM1 P35372 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
SCHEMBL1989967 0.86 FDPS (0.31) FDPS
SCHEMBL22161805 0.81 FDPS (0.40) FDPSALDH1A1CA2CA1CTSL
SCHEMBL8433897 0.79 GPR84 (0.46) FDPSCA2CA1CTSLCTSS
Hydrochloric Acid SCHEMBL9624578 0.78 GPR84 (0.44) FDPSCA2CA1CTSLCTSS
SCHEMBL9624573 0.78 ALDH1A1 (0.40) FDPSALDH1A1CA2CA1CTSL
SCHEMBL22539065 0.77 ALDH1A1 (0.44) FDPSALDH1A1CA2CA1CTSL
SCHEMBL753539 0.77 FDPS (0.38) FDPSALDH1A1CA2CA1CTSL
SCHEMBL12651612 0.77 FDPS (0.38) FDPSALDH1A1CA2CA1CTSL
SCHEMBL9625420 0.76 ALDH1A1 (0.43) FDPSALDH1A1CA2CA1CTSL
SCHEMBL8434197 0.76 FDPS (0.38) FDPSALDH1A1CA2CA1CTSL

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-20140018377-A1 Aminopropenoates as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-16 US disclosed
US-8476197-B2 Aminopropenoates as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-02 US disclosed
US-20110152322-A1 Aminopropenoates as Fungicides BAYER CROPSCIENCE AG (DE) 2011-06-23 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 (2 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-20110152322-A1 Aminopropenoates as Fungicides AASDHPPT, DAO, AAAS FDPS 135/4885ALDH1A1 2719/4885CA2 1961/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS FDPS 321/4885ALDH1A1 3199/4885CA2 2174/4885

“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.