SCHEMBL18573262

SCHEMBL18573262

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.35
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
GRM5 P41594 6/20 0.34
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
LDHA P00338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
KDM1A O60341 1/20 0.31
PDK2 Q15119 1/20 0.31
SMYD2 Q9NRG4 1/20 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
SCHEMBL19794375 0.91 RARG (0.40) RARBRARGRXRALDHA
SCHEMBL19794437 0.88 LDHA (0.42) RARBRARGRXRABACE1LDHA
SCHEMBL18573107 0.86 RARB (0.36) PGRRARBRARGRXRAGRM5
SCHEMBL18573101 0.80 RARB (0.36) RARBRARGRXRALDHA
SCHEMBL19794436 0.77 RARG (0.47) RARBRARGRXRALDHA
SCHEMBL19794374 0.76 RARB (0.46) RARBRARGRXRABACE1PDK2
SCHEMBL18015686 0.76 LDHA (0.46) RARBRARGRXRALDHAALDH1A1
SCHEMBL18573100 0.75
SCHEMBL18572774 0.75 TRPV1 (0.32)
SCHEMBL20696578 0.74 ABL1 (0.36) RARBRARGRXRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO 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 (1 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-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 PGR 2895/4885RARB 3745/4885RARG 3533/4885

“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.