SCHEMBL5366165

SCHEMBL5366165

COC(=O)CCC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.54
WNT3A P56704 7/20 0.54
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 2/20 0.41
POLB P06746 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
QPCT Q16769 1/20 0.38

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
SCHEMBL15979927 0.85 CTNNB1 (0.56) CTNNB1WNT3AKMT2ARAB9ANPC1
SCHEMBL15980124 0.83 CTNNB1 (0.60) CTNNB1WNT3AKMT2ARAB9ANPC1
SCHEMBL5378003 0.83 CTNNB1 (0.63) CTNNB1WNT3AKMT2ARAB9AHDAC6
SCHEMBL3790265 0.83 CTNNB1 (0.56) CTNNB1WNT3AKMT2ARAB9AHDAC6
SCHEMBL15969052 0.82 CTNNB1 (0.56) CTNNB1WNT3AKMT2ARAB9ANPC1
SCHEMBL15969237 0.82 CTNNB1 (0.79) CTNNB1WNT3ARAB9AHDAC6HTT
SCHEMBL15979919 0.81 CTNNB1 (0.60) CTNNB1WNT3AKMT2ARAB9ANPC1
SCHEMBL15979985 0.81 CTNNB1 (0.60) CTNNB1WNT3AKMT2ARAB9AHDAC6
SCHEMBL15979951 0.80 CTNNB1 (0.65) CTNNB1WNT3AKMT2ANPC1POLB
SCHEMBL15980123 0.80 CTNNB1 (0.60) CTNNB1WNT3AKMT2ARAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
EP-1228060-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001032649-A1 ARYLALKANE, ARYLALKENE AND ARYL AZAALKANE, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-10 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 (1 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CTNNB1 1453/4885WNT3A 2227/4885KMT2A 4461/4885

“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.