SCHEMBL1453422

SCHEMBL1453422

C[CH]C(C)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL28694462 0.84 MAOA (0.38) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1454216 0.79 HPGD (0.40) SMN1; SMN2MAPTHPGDLMNAL3MBTL1
SCHEMBL10404224 0.79 MAOA (0.38) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL809567 0.79 LMNA (0.39) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL8909153 0.74 MAOA (0.42) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL23372988 0.74 HTR2A (0.40) MAOBTDP1
SCHEMBL343269 0.74 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1453001 0.74 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL5173197 0.74 SMN1; SMN2 (0.45) MAOAMAOBSMN1; SMN2MAPTHPGD
SCHEMBL1713865 0.73 SMN1; SMN2 (0.50) MAOAMAOBSMN1; SMN2MAPTHPGD

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 9 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
US-7910617-B2 Method for suppressing the number of peripheral blood lymphocytes using an amino alcohol compound SANKYO COMPANY, LIMITED (JP) 2011-03-22 US disclosed
US-20070191468-A1 Amino alcohol compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2007-08-16 US disclosed
EP-1733724-A1 AMINO ALCOHOL COMPOUND Sankyo Company, Limited (JP) 2006-12-20 EP disclosed
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 WO 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 (3 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 MAOA 992/4885MAOB 828/4885SMN1; SMN2 4305/4885
US-20070191468-A1 Amino alcohol compound ADH1A, ADH1C, BCAT1 MAOA 2055/4885MAOB 1138/4885SMN1; SMN2 1845/4885
US-20140018377-A1 Aminopropenoates as Fungicides ACMSD, AASDHPPT, AAAS MAOA 476/4885MAOB 493/4885SMN1; 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.