SCHEMBL17229161

SCHEMBL17229161

CC(C)(C)c1ccc2c(c1)c1ccccc1c1nc(=O)c3cc4c(cc3n21)C1(C)CCC4(C)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.39
RORA P35398 4/20 0.39
RORC P51449 4/20 0.39
RORB Q92753 4/20 0.39
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RCE1 Q9Y256 1/20 0.31
DNMT1 P26358 3/20 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
SCHEMBL15428289 0.81 IDH1 (0.31)
SCHEMBL15840884 0.77 PGR (0.41) PGRRORARORCRORBNR1H3
SCHEMBL19669302 0.73 PGR (0.38) PGRRORARORCRORBKDM4E
SCHEMBL19735266 0.71 KDM4E (0.50) PGRRORARORCRORBKDM4E
SCHEMBL15829288 0.70 PGR (0.41) PGRRORARORCRORBNR1H3
SCHEMBL17084984 0.69 PGR (0.35) PGRRORARORCRORB
SCHEMBL26936077 0.68 KDM4E (0.43) PGRRORARORCRORBKDM4E
SCHEMBL15428210 0.68 KDM4E (0.31) KDM4EHSD17B10
SCHEMBL19669299 0.68 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL16905524 0.66 RORA (0.38) PGRRORARORCRORBKDM4E

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-2935293-B1 IRIDIUM COMPLEXES AND THEIR USE IN ELECTRONIC DEVICES, ESPECIALLY ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-21 EP disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 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-20150318498-A1 Metal Complexes SOD1, AP1M1, AP3M1 PGR 3351/4885RORA 3670/4885RORC 2492/4885

“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.