SCHEMBL14214569

SCHEMBL14214569

CNCCC(O)c1ccc(O)c(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.60
ADRB1 P08588 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 2/20 0.58
HIF1A Q16665 2/20 0.58
NFKB1 P19838 1/20 0.58
TDP1 Q9NUW8 3/20 0.57
PMP22 Q01453 1/20 0.52
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADRB3 P13945 1/20 0.49
DRD2 P14416 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL8280495 0.84 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL10232110 0.84 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL20285625 0.84 ADRB2 (0.70) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14184723 0.84 ADRB2 (0.74) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL25387672 0.83 TDP1 (0.69) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL22607288 0.79 ADRB2 (0.57) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL19236388 0.78 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL14291852 0.78 ADRB2 (0.62) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL16216316 0.78 TDP1 (0.51) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL19361304 0.76 TDP1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107730-A1 SUSTAINED RELEASE PHARMACEUTICAL PREPARATIONS AND METHODS FOR PRODUCING THE SAME KUMBHANI DAVEJIBHAI 2008-05-08 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-20080107730-A1 SUSTAINED RELEASE PHARMACEUTICAL PREPARATIONS AND METHODS FOR PRODUCING THE SAME ADRB2, MC2R, ADRB1 ADRB2 1/4885ADRB1 3/4885CYP1A2 475/4885

“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.