SCHEMBL1991395

SCHEMBL1991395

CC(C)CC(CC(C)C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ANPEP P15144 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL19669575 0.84 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL23902179 0.84 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL22736191 0.82 TSHR (0.42) ALDH1A1TSHRMAPK1
SCHEMBL22593959 0.82 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL1989968 0.80 CTSL (0.31) TSHR
SCHEMBL12868464 0.79 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1ANPEPERAP2
SCHEMBL19540840 0.78 CTSL (0.37)
SCHEMBL1991392 0.78 ALDH1A1 (0.31) ALDH1A1ANPEPERAP1
SCHEMBL1191233 0.78
SCHEMBL1986223 0.76 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1

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 ALDH1A1 2719/4885TSHR 4713/4885MAPK1 3338/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS ALDH1A1 3199/4885TSHR 4636/4885MAPK1 3546/4885

“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.