SCHEMBL17486004

SCHEMBL17486004

Cc1cc(-c2ccc3c(c2)C(C)(C)CC3(C)C)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.34
RARB P10826 6/20 0.34
RXRA P19793 3/20 0.33
RARG P13631 6/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
LDHA P00338 1/20 0.31
PGR P06401 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
SCHEMBL17485957 0.86 RARB (0.36) RARARARBRXRARARGABCB1
SCHEMBL17486024 0.85 BACE1 (0.35) RARARARBRXRARARGABCB1
SCHEMBL18573101 0.83 RARB (0.36) RARARARBRXRARARGLDHA
SCHEMBL17486065 0.81 LDHA (0.32) LDHA
SCHEMBL17486292 0.79 KMO (0.36) RARARARBRXRARARGPGR
SCHEMBL18015415 0.79 NPC1 (0.37) RARARARBRXRARARGABCB1
SCHEMBL17486007 0.78 JAK2 (0.31) JAK2JAK1TYK2JAK3LDHA
SCHEMBL17485994 0.78 LDHA (0.31) LDHA
SCHEMBL16998454 0.77 RARB (0.45) RARARARBRXRARARGABCB1
SCHEMBL16998885 0.77 RARB (0.45) RARARARBRXRARARGABCB1

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 11 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
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 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
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (3 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 RARA 2536/4885RARB 2999/4885RXRA 2518/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 RARA 3091/4885RARB 3726/4885RXRA 3458/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 RARA 3284/4885RARB 3717/4885RXRA 3738/4885

“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.