SCHEMBL25896285

SCHEMBL25896285

CCOCC1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.50
ESR1 P03372 5/20 0.43
GHSR Q92847 9/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
HSD17B1 P14061 1/20 0.40
OPRK1 P41145 1/20 0.39
NR1H2 P55055 1/20 0.39

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
SCHEMBL30645344 0.88 ESR2 (0.51) ESR2ESR1GHSRDRD2DRD1
SCHEMBL24528881 0.88 ESR2 (0.51) ESR2ESR1GHSRDRD2DRD1
SCHEMBL3864665 0.86 ESR2 (0.47) ESR2ESR1GHSRDRD2DRD1
SCHEMBL8513232 0.85 ESR2 (0.47) ESR2ESR1GHSRDRD2DRD1
SCHEMBL25896301 0.85 GPR119 (0.41) GHSR
SCHEMBL2081445 0.81 ESR2 (0.49) ESR2ESR1GHSR
SCHEMBL31505338 0.81 ESR2 (0.56) ESR2ESR1GHSRDRD2DRD1
SCHEMBL31505408 0.81 ESR2 (0.56) ESR2ESR1GHSRDRD2DRD1
SCHEMBL30645355 0.81 ESR2 (0.56) ESR2ESR1GHSRDRD2DRD1
SCHEMBL24528817 0.81 ESR2 (0.56) ESR2ESR1GHSRDRD2DRD1

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-20230192620-A1 ANILINE COMPOUND USED AS RORy REGULATOR SHANGHAI LITEDD CO., LTD. (CN) 2023-06-22 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-20230192620-A1 ANILINE COMPOUND USED AS RORy REGULATOR RORB, RORA, RORC ESR2 342/4885ESR1 1922/4885GHSR 691/4885

“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.