SCHEMBL24115459

SCHEMBL24115459

CC(C)(C)[Si](C)(C)OCCC(Cc1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL24115513 0.94 UTS2R (0.38) UTS2RHRH3ADRB2ADRB1ADRB3
SCHEMBL24115510 0.84 MMP1 (0.39) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL24115523 0.83 UTS2R (0.39) UTS2RHRH3ADRB2ADRB1ADRB3
SCHEMBL24115475 0.79 HTR2A (0.42) ADRB2HTR2AHTR2CHTR2B
SCHEMBL21443074 0.78 CYP1A2 (0.48) UTS2RKMT2AMEN1ALDH1A1KDM4E
SCHEMBL569280 0.75 TDP1 (0.44) HRH3ADRB1KMT2AMEN1DRD3
SCHEMBL22767881 0.75 PIN1 (0.49) UTS2RHRH3CTSBCTSSCTSK
SCHEMBL24115516 0.74 HTR2A (0.40) ADRB2HTR2AHTR2CHTR2B
SCHEMBL16113819 0.72 MEN1 (0.40) CTSBCTSSKMT2AMEN1MAPT
SCHEMBL25977545 0.71 MEN1 (0.41) ADRB2ADRB1ADRB3CTSKKMT2A

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-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used HIROSHIMA UNIVERSITY (JP) 2021-12-21 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-11203565-B2 Ester compound and PIN1 inhibitor, inflammatory disease therapeutic, and colon cancer therapeutic in which said ester compound is used PIN1, APC, GSKIP UTS2R 4200/4885HRH3 4245/4885ADRB2 4731/4885

“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.