SCHEMBL5378003

SCHEMBL5378003

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 6/20 0.63
WNT3A P56704 6/20 0.63
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.44
NR4A2 P43354 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 3/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 1/20 0.42
USP5 P45974 1/20 0.41

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
SCHEMBL15969237 0.90 CTNNB1 (0.79) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15979919 0.85 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15979985 0.85 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15980124 0.85 CTNNB1 (0.60) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3790265 0.85 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15980126 0.84 CTNNB1 (0.59) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15980125 0.84 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL5366165 0.83 CTNNB1 (0.54) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15980130 0.82 CTNNB1 (0.53) CTNNB1WNT3AALDH1A1RAB9ASMN1; SMN2
SCHEMBL15979927 0.82 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1RAB9AHPGD

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 2227/4885ALDH1A1 425/4885

“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.