SCHEMBL20173573

SCHEMBL20173573

CC(C)c1cccc(C(C)C)c1-c1cnc2c3ccccc3c3cc(CC(C)(C)C)ccc3n12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.32
PGR P06401 2/20 0.31
RORA P35398 2/20 0.31
RORC P51449 2/20 0.31
RORB Q92753 2/20 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
SCHEMBL861236 0.92 RORA (0.33) PTGES2PGRRORARORCRORB
SCHEMBL841591 0.86 PGR (0.33) PGRRORARORCRORB
SCHEMBL19236218 0.84 PTGES2 (0.32) PTGES2
SCHEMBL840348 0.82 PGR (0.35) PGRRORARORCRORB
SCHEMBL13286933 0.82 MAPT (0.33)
SCHEMBL20173562 0.80 PTGES2 (0.34) PTGES2PGRRORARORCRORB
SCHEMBL840965 0.79 LMNA (0.34)
SCHEMBL21917530 0.79 IKBKB (0.33)
SCHEMBL23966490 0.79
SCHEMBL861241 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11322696-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-05-03 US disclosed
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-10629817-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-04-21 US disclosed
US-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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 (4 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-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES KCNB2, KCNB1, GJB2 PTGES2 1931/4885PGR 1007/4885RORA 3502/4885
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS PTGES2 2662/4885PGR 3740/4885RORA 1637/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 PTGES2 3137/4885PGR 2915/4885RORA 3211/4885
US-10629817-B2 Materials for organic electroluminescent devices KCNB2, KCNB1, GJB2 PTGES2 1875/4885PGR 1330/4885RORA 3858/4885

“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.