SCHEMBL17486335

SCHEMBL17486335

CC1(C)CC(C)(C)c2cc(-c3ccc(-c4nc(C5CCCCC5)nc(C5CCCCC5)n4)cn3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.32
DGAT1 O75907 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MRGPRX2 Q96LB1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL17486326 0.86 KDM4E (0.31) DGAT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17486342 0.86 NPC1 (0.33) DGAT1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17486241 0.85 MRGPRX2 (0.31) MRGPRX2
SCHEMBL17486225 0.79 TDP1 (0.36) HPGDL3MBTL1
SCHEMBL17486296 0.79 RARA (0.38) RARARARBRARGL3MBTL1
SCHEMBL17486299 0.78 RARB (0.37) RARARARBRARGHSD17B10NPC1
SCHEMBL17486329 0.78 RARB (0.42) RARARARBRARGKDM4EALDH1A1
SCHEMBL17486094 0.77 PIK3CA (0.38) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL17486029 0.77 RARB (0.44) RARARARBRARGKDM4EALDH1A1
SCHEMBL18015387 0.76 SMN1; SMN2 (0.48) ALDH1A1HPGDNPC1RAB9APTPN2

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.