SCHEMBL25683022

SCHEMBL25683022

COc1cc(OCc2c(C)noc2C)ccc1C(C)=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.62
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.60
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL25680341 0.82 AKR1C3 (0.64) AKR1C3ALDH1A1TSHRGAAHTT
SCHEMBL20511063 0.80 GAA (0.58) AKR1C3ALDH1A1GAAMEN1KMT2A
SCHEMBL3293780 0.79 GAA (0.68) AKR1C3ALDH1A1GAAHTTKMT2A
SCHEMBL20510987 0.74 ALDH1A1 (0.79) ALDH1A1TSHRGAAHTTMEN1
SCHEMBL1928504 0.74 GAA (0.67) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL20511052 0.73 GAA (1.00) ALDH1A1TSHRGAAHTTMEN1
SCHEMBL10797158 0.73 MAOB (0.72) GAAKDM4E
SCHEMBL28915156 0.72 ALDH1A1 (0.72) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL25680418 0.72 LMNA (0.77) AKR1C3ALDH1A1TSHRGAALMNA
SCHEMBL25680297 0.72 LMNA (0.66) AKR1C3ALDH1A1TSHRGAALMNA

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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP AKR1C3 4220/4885ALDH1A1 4536/4885TSHR 264/4885

“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.