SCHEMBL19794375

SCHEMBL19794375

Cc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.40
RARB P10826 5/20 0.40
RXRA P19793 2/20 0.40
LDHA P00338 1/20 0.36
RARA P10276 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
MAPK14 Q16539 1/20 0.31
DYRK1A Q13627 1/20 0.30

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 0.96 LDHA (0.42) RARGRARBRXRALDHARARA
SCHEMBL18573107 0.94 RARB (0.36) RARGRARBRXRALDHARARA
SCHEMBL18573262 0.91 PGR (0.35) RARGRARBRXRALDHA
SCHEMBL18573101 0.88 RARB (0.36) RARGRARBRXRALDHARARA
SCHEMBL19794436 0.85 RARG (0.47) RARGRARBRXRALDHARARA
SCHEMBL19794374 0.84 RARB (0.46) RARGRARBRXRARARAALOX5AP
SCHEMBL18015686 0.83 LDHA (0.46) RARGRARBRXRALDHAIRAK4
SCHEMBL18572774 0.82 TRPV1 (0.32) NPC1RAB9A
SCHEMBL18573100 0.82
SCHEMBL20696578 0.81 ABL1 (0.36) RARGRARBRXRANPC1RAB9A

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.