SCHEMBL15549338

SCHEMBL15549338

Cc1ccc(OC[C@@H](O)[C@H](CO)NC(C)C)c2c1CCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.74
ADRB1 P08588 5/20 0.74
ADRB3 P13945 3/20 0.74
KDM4E B2RXH2 3/20 0.74
CYP2D6 P10635 2/20 0.74
CYP1A2 P05177 2/20 0.74
TSHR P16473 2/20 0.74
ADRA2A P08913 1/20 0.74
TP53 P04637 1/20 0.74
CYP3A4 P08684 1/20 0.74
NFKB1 P19838 1/20 0.74
HIF1A Q16665 1/20 0.74
NPSR1 Q6W5P4 2/20 0.73
MEN1 O00255 1/20 0.73
LMNA P02545 1/20 0.73
PMP22 Q01453 1/20 0.73
KMT2A Q03164 1/20 0.73
RXRG P48443 7/20 0.41
RXRA P19793 6/20 0.41
RXRB P28702 6/20 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
SCHEMBL11266032 0.90 ADRB2 (0.74) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL146178 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL29558331 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL8027938 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL15058356 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL29387637 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL14941581 0.85 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
SCHEMBL875724 0.85 ADRB2 (0.71) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL5485188 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6
Zenidolol SCHEMBL31074300 0.84 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975430-B2 Phenolytic kinetic resolution of azido and alkoxy epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-10 US claimed
US-20140350276-A1 Phenolytic Kinetic Resolution of Azido and Alkoxy Epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-27 US claimed
WO-2013093943-A9 PHENOLYTIC KINETIC RESOLUTION OF AZIDO AND ALKOXY EPOXIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-23 WO claimed
US-8975430-B2 Phenolytic kinetic resolution of azido and alkoxy epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-10 US disclosed
US-8975430-B2 Phenolytic kinetic resolution of azido and alkoxy epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-10 US disclosed
US-8975430-B2 Phenolytic kinetic resolution of azido and alkoxy epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-10 US disclosed
US-20140350276-A1 Phenolytic Kinetic Resolution of Azido and Alkoxy Epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-27 US disclosed
US-20140350276-A1 Phenolytic Kinetic Resolution of Azido and Alkoxy Epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-27 US disclosed
US-20140350276-A1 Phenolytic Kinetic Resolution of Azido and Alkoxy Epoxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-27 US disclosed
WO-2013093943-A9 PHENOLYTIC KINETIC RESOLUTION OF AZIDO AND ALKOXY EPOXIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-23 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-20140350276-A1 Phenolytic Kinetic Resolution of Azido and Alkoxy Epoxides ADH1A, ADH1C, ADH5 ADRB2 71/4885ADRB1 21/4885ADRB3 156/4885

“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.