SCHEMBL22644229

SCHEMBL22644229

C[C@H](COc1ccc([C@]23CC4CC(C[C@H](C4)C2)C3)c(F)c1F)C(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39
VDR P11473 1/20 0.35
GAA P10253 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
RAD52 P43351 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
HSPD1 P10809 1/20 0.31
GOT1 P17174 1/20 0.31
GLRA1 P23415 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL24559482 0.85 RARB (0.41) RARARARBRARGVDRGAA
SCHEMBL22644241 0.85 KDM1A (0.36) RARARARBRARGVDRGAA
SCHEMBL24559663 0.78 RARB (0.36) RARARARBRARGGAANCOA3
SCHEMBL22635921 0.75 RARA (0.35) RARARARBRARGGAANCOA3
SCHEMBL24559474 0.75 RARA (0.35) RARARARBRARGGAANCOA3
SCHEMBL22644230 0.75 RARA (0.35) RARARARBRARGGAANCOA3
SCHEMBL22644228 0.74 RARA (0.32) RARARARBRARG
SCHEMBL24559809 0.73 RARA (0.33) RARARARBRARG
SCHEMBL15046513 0.73 RARA (0.43) RARARARBRARGMEN1KMT2A
SCHEMBL24559481 0.72 APP (0.36) RARARARBRARG

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 3 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
WO-2020225270-A1 DIAMONDOID COMPOUNDS MERCK PATENT GMBH (DE) 2020-11-12 WO 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 RARA 2289/4885RARB 1454/4885RARG 813/4885

“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.