SCHEMBL1990817

SCHEMBL1990817

CSc1c(C)cccc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.35
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACHE P22303 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1991285 0.86 SCN4A (0.38) SCN4AESR1CYP1A2CYP2A6CA1
SCHEMBL14708718 0.81 GABRA1 (0.43) SCN4AESR1CYP1A2CYP2A6CA1
SCHEMBL4460481 0.77 CYP2A6 (0.45) SCN4ACYP1A2CYP2A6CA1CA2
SCHEMBL1993383 0.75 GABRA1 (0.38) ALDH1A1TSHR
SCHEMBL16955883 0.73 ADRA2A (0.43) ESR1CYP1A2CYP2A6CA1CA2
SCHEMBL256732 0.72 ESR1 (0.54) ESR1CYP1A2CYP2A6CA1CA2
SCHEMBL28762439 0.71 SCN4A (0.38) SCN4ACYP1A2CYP2A6CA1CA2
SCHEMBL22564870 0.71 ACHE (0.50) SCN4ACYP1A2CYP2A6CA1CA2
SCHEMBL6735223 0.71 CYP2A6 (0.36) SCN4ACYP1A2CYP2A6CA1CA2
SCHEMBL16951322 0.71 ACHE (0.39) ESR1CYP1A2CYP2A6CA1CA2

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 SCN4A 2215/4885ESR1 3000/4885CYP1A2 59/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS SCN4A 2120/4885ESR1 3945/4885CYP1A2 164/4885

“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.