SCHEMBL1985573

SCHEMBL1985573

CC[CH]C(C)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.47
HRH3 Q9Y5N1 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
DAO P14920 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
SIRT1 Q96EB6 1/20 0.39
F11 P03951 1/20 0.39
PYGL P06737 2/20 0.37
FLT3 P36888 1/20 0.36

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
SCHEMBL6117357 0.80 LOXL2 (0.51) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL5731862 0.79 HRH4 (0.51) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL8761869 0.78 HRH4 (0.51) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL5103790 0.76 LOXL2 (0.50) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL1253869 0.75 LOXL2 (0.58) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL1253868 0.73 HRH4 (0.47) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL23875945 0.70 HRH4 (0.54) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL28390130 0.70 MEN1 (0.54) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL2056276 0.68 LOXL2 (0.68) HRH4HRH3LOXL2KMT2ASMN1; SMN2
SCHEMBL6117237 0.68 LOXL2 (0.62) HRH4LOXL2KMT2ASMN1; SMN2MEN1

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 HRH4 2296/4885HRH3 2007/4885LOXL2 2927/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS HRH4 2313/4885HRH3 2411/4885LOXL2 2015/4885

“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.