SCHEMBL22947414

SCHEMBL22947414

C[Si]1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)c4ccccc34)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
GP6 Q9HCN6 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
PDE7A Q13946 2/20 0.32
PDE7B Q9NP56 2/20 0.32
MEN1 O00255 4/20 0.31
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 4/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C9 P11712 3/20 0.31
MAPK1 P28482 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
USP2 O75604 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
SCHEMBL22947421 0.99 RORA (0.34) RORARORCGP6L3MBTL1PDE7A
SCHEMBL22947413 0.95 RORA (0.36) RORARORCL3MBTL1MEN1ALDH1A1
SCHEMBL22948260 0.95 RORA (0.36) RORARORCL3MBTL1MEN1ALDH1A1
SCHEMBL22948261 0.94 RORA (0.37) RORARORCL3MBTL1MEN1ALDH1A1
SCHEMBL22948055 0.93 PDE7A (0.33) GP6L3MBTL1PDE7APDE7BMEN1
SCHEMBL22948070 0.92 PDE7A (0.34) GP6L3MBTL1PDE7APDE7BMEN1
SCHEMBL23869077 0.90 RORA (0.40) RORARORCGP6L3MBTL1MEN1
SCHEMBL22947290 0.90 RORA (0.40) RORARORCGP6L3MBTL1MEN1
SCHEMBL22947282 0.90 RORA (0.40) RORARORCGP6L3MBTL1MEN1
SCHEMBL22947584 0.90 RORA (0.40) RORARORCGP6L3MBTL1MEN1

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-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 RORA 319/4885RORC 247/4885GP6 2509/4885

“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.