SCHEMBL19794458

SCHEMBL19794458

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4cc5c(cc4-c4ccc(-c6cc(C)c(-c7ccccc7)cn6)cc4)C(C)(C)CCC5(C)C)cc(-c4cc5c(cc4-c4ccc(-c6cc(C)c(-c7ccccc7)cn6)cc4)C(C)(C)CCC5(C)C)c3)cc2)ncc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.46
RXRA P19793 8/20 0.46
RARG P13631 5/20 0.46
LDHA P00338 1/20 0.43
RXRG P48443 5/20 0.43
RXRB P28702 4/20 0.43
RARA P10276 8/20 0.39
DYRK1A Q13627 1/20 0.36
DGAT1 O75907 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL19794457 0.90 RARG (0.41) RARBRXRARARGLDHARXRG
SCHEMBL16998408 0.87 RARG (0.50) RARBRXRARARGLDHARXRG
SCHEMBL21202914 0.87 RARG (0.39) RARBRXRARARGLDHARXRG
SCHEMBL19794436 0.85 RARG (0.47) RARBRXRARARGLDHARXRG
SCHEMBL18015686 0.84 LDHA (0.46) RARBRXRARARGLDHARXRG
SCHEMBL16998412 0.82 RARG (0.45) RARBRXRARARGLDHARXRG
SCHEMBL19794437 0.82 LDHA (0.42) RARBRXRARARGLDHARARA
SCHEMBL23956296 0.80 LDHA (0.50) LDHADYRK1ANPC1RAB9APDGFRB
SCHEMBL19833441 0.80 LDHA (0.50) LDHADYRK1ANPC1RAB9AIRAK4
SCHEMBL18015596 0.80 LDHA (0.53) LDHADYRK1ANPC1RAB9APDGFRB

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 2999/4885RXRA 2518/4885RARG 3090/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 RARB 3726/4885RXRA 3458/4885RARG 3136/4885

“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.