SCHEMBL1990200

SCHEMBL1990200

CC(CC(F)F)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.46
C3AR1 Q16581 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
AOC3 Q16853 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
AKT1 P31749 1/20 0.36
TRPA1 O75762 2/20 0.35
BRD4 O60885 1/20 0.35
KCNA5 P22460 1/20 0.35
FFAR2 O15552 1/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL436858 0.82 ADRB2 (0.50) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL5109245 0.81 ADRB2 (0.45) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL22338074 0.80 AOC3 (0.39) CA1CA2AOC3SLC6A2SLC6A3
SCHEMBL1989565 0.75 ALDH1A1 (0.45) CA1CA2TSHRMAPK1TDP1
SCHEMBL10192291 0.75 ADRB2 (0.52) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL2632879 0.75 ADRB2 (0.52) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL2931566 0.75 ADRB2 (0.52) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL14705838 0.75 ADRB2 (0.52) ADRB2C3AR1TSHRMAPK1HIF1A
SCHEMBL16425762 0.74 ADRB2 (0.56) ADRB2CA1CA2TSHRMAPK1
SCHEMBL6825040 0.74 ADRB2 (0.42) ADRB2C3AR1TSHRMAPK1HIF1A

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 ADRB2 4019/4885C3AR1 2458/4885CA1 2888/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS ADRB2 3445/4885C3AR1 4179/4885CA1 3737/4885

“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.