SCHEMBL19794374

SCHEMBL19794374

CC1(C)CC(C)(C)c2cc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)CC7(C)C)nc5)cc(-c5ccccc5-c5ccc(-c6ccc7c(c6)C(C)(C)CC7(C)C)nc5)c4)cn3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.46
RARG P13631 4/20 0.46
RXRA P19793 2/20 0.46
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
RARA P10276 3/20 0.39
FEN1 P39748 10/20 0.36
ALOX5AP P20292 9/20 0.36
PDK2 Q15119 2/20 0.35
BACE1 P56817 1/20 0.34
NR2F2 P24468 1/20 0.33

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
SCHEMBL18015536 0.91 RARG (0.56) RARBRARGRXRAHSD17B1HSD17B2
SCHEMBL19794505 0.87 RARG (0.43) RARBRARGRXRARARAFEN1
SCHEMBL21202890 0.86 RARG (0.56) RARBRARGRXRAHSD17B1HSD17B2
SCHEMBL19794384 0.86 LDHA (0.40) RARBRARGRXRAHSD17B1HSD17B2
SCHEMBL19794375 0.84 RARG (0.40) RARBRARGRXRARARAFEN1
SCHEMBL18015489 0.84 ALOX5 (0.41) RARBRARGRXRAHSD17B1HSD17B2
SCHEMBL18015538 0.83 RARG (0.34) RARBRARGRXRA
SCHEMBL19794369 0.81 HSD17B1 (0.43) RARBRARGRXRAHSD17B1HSD17B2
SCHEMBL19794437 0.81 LDHA (0.42) RARBRARGRXRARARABACE1
SCHEMBL17486329 0.81 RARB (0.42) RARBRARGRXRAHSD17B1HSD17B2

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 RARB 2999/4885RARG 3090/4885RXRA 2518/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 RARB 3726/4885RARG 3136/4885RXRA 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.