SCHEMBL17486140

SCHEMBL17486140

CC1(C)OC2(CCCC2)c2ccc(-c3ccc(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)n4)cn3)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
PGR P06401 3/20 0.36
HPGDS O60760 2/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.32
PDE7A Q13946 1/20 0.32
ALOX5AP P20292 1/20 0.32
NPY5R Q15761 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 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
SCHEMBL17486139 0.82 ALOX5 (0.33)
SCHEMBL17486341 0.81 MEN1 (0.39) HPGDSHSD17B1HSD17B2
SCHEMBL17486333 0.79 RARB (0.47) RARARARBRARGHPGDSHSD17B1
SCHEMBL19295143 0.78 RARB (0.46) RARARARBRARGHPGDSHSD17B1
SCHEMBL17485991 0.78 HSD17B1 (0.43) RARARARBRARGHPGDSHSD17B1
SCHEMBL19295137 0.78 HSD17B1 (0.43) RARARARBRARGHPGDSHSD17B1
SCHEMBL17486259 0.78 HSD17B1 (0.43) RARARARBRARGHPGDSHSD17B1
SCHEMBL20805366 0.77 P2RX7 (0.40) ALOX5AP
SCHEMBL17485969 0.77 HSD17B1 (0.43) RARARARBRARGHPGDSHSD17B1
SCHEMBL17486214 0.76 BACE1 (0.32) PGRALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP 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-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 (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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 RARA 3284/4885RARB 3717/4885RARG 3452/4885

“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.