SCHEMBL24559481

SCHEMBL24559481

CC1(C)OCC(COc2ccc([C@]34CC5CC(C[C@H](C5)C3)C4)c(F)c2F)CO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.36
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30

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
SCHEMBL24559483 1.00 APP (0.36) APPIDO1TDO2RARARARB
SCHEMBL22644241 0.76 KDM1A (0.36) IDO1TDO2RARARARBRARG
SCHEMBL15046513 0.74 RARA (0.43) IDO1TDO2RARARARBRARG
SCHEMBL22644229 0.72 RARA (0.39) RARARARBRARG
SCHEMBL22644213 0.71 PPARG (0.33) RARARARBRARGHTR2AHTR2C
SCHEMBL24559474 0.71 RARA (0.35) RARARARBRARG
SCHEMBL24559482 0.71 RARB (0.41) RARARARBRARG
SCHEMBL22644230 0.71 RARA (0.35) RARARARBRARG
SCHEMBL22635921 0.71 RARA (0.35) RARARARBRARG
SCHEMBL29240603 0.71 PPARG (0.33) RARARARBRARGHTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966871-B1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-03 EP disclosed
US-20220209150-A1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2022-06-30 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-20220209150-A1 DIAMONDOID COMPOUNDS CCND2, ZYX, CCNB2 APP 684/4885IDO1 3585/4885TDO2 3209/4885

“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.