SCHEMBL10072155

SCHEMBL10072155

CC(C)NC[C@@H](O)COc1ccc(CC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.78
ADRB1 P08588 5/20 0.78
TDP1 Q9NUW8 3/20 0.78
LMNA P02545 2/20 0.78
PMP22 Q01453 2/20 0.78
ADRA1A P35348 2/20 0.78
CYP1A2 P05177 2/20 0.78
TSHR P16473 2/20 0.78
CNR1 P21554 1/20 0.78
ADRA1D P25100 1/20 0.78
ADRA1B P35368 1/20 0.78
KDM4E B2RXH2 1/20 0.78
GLA P06280 1/20 0.78
CYP3A4 P08684 1/20 0.78
NFKB1 P19838 1/20 0.78
THPO P40225 1/20 0.78
BLM P54132 1/20 0.78
CYP2D6 P10635 3/20 0.67
ADRB3 P13945 2/20 0.67
PTGS1 P23219 1/20 0.65

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
SCHEMBL9628892 1.00 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL6674480 1.00 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
Hydrochloric Acid SCHEMBL6016823 0.99 ADRB2 (0.76) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL10961494 0.89 ADRB2 (0.78) ADRB2ADRB1TDP1LMNAPMP22
Atenolol SCHEMBL18120 0.88 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL10737751 0.88 ADRB2 (0.76) ADRB2ADRB1TDP1LMNAPMP22
Atenolol SCHEMBL4362 0.88 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAPMP22
SCHEMBL6016784 0.88 ADRB2 (0.77) ADRB2ADRB1TDP1LMNAPMP22
Atenolol SCHEMBL6509830 0.88 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAPMP22
Esatenolol SCHEMBL4363 0.88 ADRB2 (1.00) ADRB2ADRB1TDP1LMNAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045505-A1 FIXED DOSE DRUG COMBINATION FORMULATIONS DR. REDDY'S LABORATORIES, INC. (US) 2012-02-23 US 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-20120045505-A1 FIXED DOSE DRUG COMBINATION FORMULATIONS SLC5A6, TNNT2, SIRT6 ADRB2 259/4885ADRB1 214/4885TDP1 2568/4885

“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.