SCHEMBL6487222

SCHEMBL6487222

COCOc1ccc(C[C@@H](C(=O)OC)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPOR P19235 5/20 0.58
LTA4H P09960 1/20 0.48
PPARG P37231 3/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6487242 1.00 EPOR (0.58) EPORLTA4HPPARGPPARDPPARA
SCHEMBL13110183 0.89 EPOR (0.72) EPORLTA4HPPARGPPARAALOX5
SCHEMBL7763937 0.87 EPOR (0.54) EPORRAB9AMEN1ALDH1A1KMT2A
SCHEMBL6490581 0.83 EPOR (0.55) EPORLTA4HRAB9A
SCHEMBL6490577 0.83 EPOR (0.55) EPORLTA4HRAB9A
SCHEMBL7281578 0.82 EPOR (0.54) EPORLTA4HRAB9AMEN1ALDH1A1
SCHEMBL6478909 0.79 MAOB (0.41) EPORMEN1ALDH1A1LMNAKMT2A
SCHEMBL2438787 0.79 LTA4H (0.60) EPORLTA4HPPARGPPARAALOX5
SCHEMBL6478902 0.79 MAOB (0.41) EPORMEN1ALDH1A1LMNAKMT2A
SCHEMBL7281801 0.78 MEN1 (0.52) EPORRAB9AMEN1ALDH1A1LMNA

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 EPOR 2428/4885LTA4H 2227/4885PPARG 328/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 EPOR 2312/4885LTA4H 1768/4885PPARG 359/4885

“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.