SCHEMBL7022751

SCHEMBL7022751

COC(=O)C(C)(C)Nc1ccc(CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 7/20 0.51
CYP4F2 P78329 6/20 0.51
PPARA Q07869 2/20 0.46
PTPRB P23467 3/20 0.39
CA2 P00918 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPRA P18433 1/20 0.37
MAPT P10636 1/20 0.36
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
ACP1 P24666 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL6741713 0.86 KMT2A (0.41) CYP4A11CYP4F2PTPRBCA2NPC1
SCHEMBL11063035 0.85 SAE1 (0.47) PTPRBCA2NPC1HPGDRAB9A
SCHEMBL19707373 0.78 RAB9A (0.53) NPC1HPGDRAB9AMAPT
SCHEMBL3656294 0.77 CYP4A11 (0.54) CYP4A11CYP4F2PPARACA2CA1
SCHEMBL8880437 0.77 CYP4A11 (0.54) CYP4A11CYP4F2PPARAPTPRBCA2
SCHEMBL19707314 0.76 POLB (0.54) PPARANPC1RAB9AMAPT
SCHEMBL11333348 0.76 ELANE (0.48) NPC1HPGDRAB9AMAPT
SCHEMBL9756879 0.75 MAPT (0.59) PTPRBPTPN2PTPN1PTPRAMAPT
SCHEMBL6743375 0.75 PTPRB (0.43) PPARAPTPRBNPC1RAB9APTPN2
SCHEMBL6861392 0.74 CTRB1 (0.39) PPARAPTPRBPTPN2PTPN1PTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790865-B2 2-HYDROXY-2-(4-HYDROXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENOXY OR IMINO)-2-METHYLPROPIONIC ACID DERIVATIVE EXCELLENT BETA 3-ADRENOCEPTOR STIMULANTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
EP-1072583-B1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-09-01 EP disclosed
US-6696489-B1 PHENOLIC AND PHENYLAMINO SUBSTITUENTS; BETA 3-ADRENOCEPTOR AGONISTS; OBESITY, HYPERGLYCEMIA, INTESTINAL HYPERMOTILITY, POLLAKIURIA, URINARY INCONTINENCE, DEPRESSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-02-24 US disclosed
US-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants KISSEI PHARMACEUTICAL CO., LTD. 2003-09-04 US disclosed
EP-1072583-A1 2-METHYLPROPIONIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-01-31 EP 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-20030166719-A1 2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)phenoxy or imino)-2-methylpropionic acid derivative excellent beta 3-adrenoceptor stimulants ADRB1, ADRB2, ADRA2A CYP4A11 698/4885CYP4F2 1650/4885PPARA 323/4885

“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.