SCHEMBL26304563

SCHEMBL26304563

Cc1cccc2c1OC(C)CO2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
MAP3K14 Q99558 1/20 0.39
CA2 P00918 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
HTR7 P34969 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL29424135 0.77 ADRA1D (0.50) ALDH1A1MAPK1KMT2AADRA1DADRA1A
SCHEMBL20755090 0.77 LMNA (0.38) CA2POLBALDH1A1
SCHEMBL13998646 0.77 ADRA1D (0.50) ALDH1A1MAPK1KMT2AADRA1DADRA1A
SCHEMBL11097027 0.77 CA2 (0.44) CA2POLBALDH1A1ADRA1DADRA1A
SCHEMBL11475106 0.77 CA2 (0.44) CA2POLBADRA1DADRA1AADRA1B
SCHEMBL6981978 0.77 CA2 (0.41) MAP3K14CA2POLBALDH1A1MAPK1
SCHEMBL6981984 0.77 CA2 (0.41) MAP3K14CA2POLBALDH1A1MAPK1
SCHEMBL15870252 0.76 CYP11B1 (0.39) BRD4CREBBPMAPK1KMT2ATDP1
SCHEMBL16413927 0.75 SIRT1 (0.45) POLBALDH1A1MAPK1KMT2ATDP1
SCHEMBL7636369 0.75 PARP1 (0.43) BRD4CREBBPALDH1A1KMT2ATDP1

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-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS SHOUTI INC. 2023-09-21 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-20230295154-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR BRD4 2424/4885CREBBP 1057/4885MAP3K14 3217/4885

“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.