SCHEMBL4385639

SCHEMBL4385639

COC(=O)c1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.70
ADRB1 P08588 6/20 0.68
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
PMP22 Q01453 1/20 0.53
CHRM3 P20309 1/20 0.49
ADRB3 P13945 2/20 0.47

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
SCHEMBL4385649 1.00 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4392993 1.00 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL13589418 0.90 ADRB2 (0.73) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL27654126 0.90 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4386830 0.90 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4386838 0.90 ADRB2 (0.77) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10655941 0.90 ADRB2 (0.78) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL12333351 0.87 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL4385163 0.86 ADRB2 (0.76) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4385168 0.86 ADRB2 (0.76) ADRB2ADRB1CYP1A2CYP2D6TSHR

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-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 ADRB2 731/4885ADRB1 711/4885CYP1A2 40/4885

“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.