SCHEMBL5375163

SCHEMBL5375163

O=C(O)CCC(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ USP5 P45974 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ HDAC3 O15379 1/20 0.39

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
SCHEMBL24270068 0.87 KMT2A (0.55) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL7403811 0.80 NR4A2 (0.62) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL30666330 0.80 NR4A2 (0.62) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL3626525 0.79 TTR (0.57) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL31585319 0.79 POLB (0.61) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL100952 0.78 NR4A2 (0.65) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL11733812 0.78 KMT2A (0.53) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL5368082 0.78 GSK3B (0.48) NR4A2ALDH1A1CYP2C19GAAKMT2A
SCHEMBL30994995 0.76 HDAC1 (0.47) KMT2AL3MBTL1LMNARAB9AHDAC3
SCHEMBL30995021 0.76 HDAC1 (0.47) L3MBTL1LMNAHDAC3HDAC4HDAC1

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 NR4A2 867/4885ALDH1A1 425/4885CYP2C19 380/4885

“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.

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