SCHEMBL19794436

SCHEMBL19794436

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)nc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 0.47
RARB P10826 10/20 0.47
RXRA P19793 7/20 0.47
RARA P10276 8/20 0.43
LDHA P00338 1/20 0.41
RXRB P28702 3/20 0.37
RXRG P48443 3/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL19794437 0.89 LDHA (0.42) RARGRARBRXRARARALDHA
SCHEMBL18015536 0.87 RARG (0.56) RARGRARBRXRARARAABCB1
SCHEMBL18015486 0.87 RARG (0.37) RARGRARBRXRARARALDHA
SCHEMBL18015375 0.86 LDHA (0.54) LDHA
SCHEMBL21125949 0.86 LDHA (0.54) LDHA
SCHEMBL18015491 0.86 LDHA (0.54) LDHA
SCHEMBL19794458 0.85 RARB (0.46) RARGRARBRXRARARALDHA
SCHEMBL19794375 0.85 RARG (0.40) RARGRARBRXRARARALDHA
SCHEMBL21202890 0.85 RARG (0.56) RARGRARBRXRARARAABCB1
SCHEMBL16998408 0.85 RARG (0.50) RARGRARBRXRARARALDHA

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC RARG 3090/4885RARB 2999/4885RXRA 2518/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 RARG 3136/4885RARB 3726/4885RXRA 3458/4885

“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.