SCHEMBL1989705

SCHEMBL1989705

C[CH]CCc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
AKR1B1 P15121 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3126913 0.80 TAAR1 (0.61) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL9046887 0.78 TAAR1 (0.39) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL97848 0.77 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL10325016 0.77 TAAR1 (0.52) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL673238 0.77 TAAR1 (0.70) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL2371650 0.76 TAAR1 (0.54) TAAR1HTTKDM4E
SCHEMBL9045669 0.75 TAAR1 (0.58) TAAR1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL9044815 0.75 TAAR1 (0.37) TAAR1AKR1B1SMN1; SMN2NPSR1HTT
SCHEMBL9046020 0.74 TAAR1 (0.36) TAAR1AKR1B1SMN1; SMN2NPSR1POLB
SCHEMBL9174929 0.73 TAAR1 (0.58) TAAR1AKR1B1SMN1; SMN2POLBLMNA

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 TAAR1 2010/4885AKR1B1 657/4885SMN1; SMN2 4305/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS TAAR1 2078/4885AKR1B1 1850/4885SMN1; SMN2 3629/4885

“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.