SCHEMBL17486339

SCHEMBL17486339

CC1(C)CC(C)(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccccc65)n4)cn3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.35
RARA P10276 3/20 0.35
MTOR P42345 1/20 0.34
RARG P13631 4/20 0.32
RXRA P19793 1/20 0.32
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 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
SCHEMBL17486330 0.89 PTGER4 (0.34) RARBRARAMTORKDM4E
SCHEMBL17486329 0.88 RARB (0.42) RARBRARARARGRXRAMEN1
SCHEMBL17486070 0.86 HSD17B1 (0.33) MTORMEN1ALDH1A1MAPTHPGD
SCHEMBL17486303 0.83 L3MBTL1 (0.46) RARBRARARARGRXRAMEN1
SCHEMBL17485977 0.83 HSD17B1 (0.34) MTORMEN1ALDH1A1MAPTHPGD
SCHEMBL17486127 0.83 ALDH1A1 (0.33) ALDH1A1KDM4ELMNA
SCHEMBL17486029 0.82 RARB (0.44) RARBRARARARGRXRAMEN1
SCHEMBL24808347 0.82 RARB (0.35) RARBRARARARGRXRAKDM4E
SCHEMBL24808184 0.82 RARB (0.35) RARBRARARARGRXRAKDM4E
SCHEMBL17486333 0.81 RARB (0.47) RARBRARARARGRXRAMEN1

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 RARB 3717/4885RARA 3284/4885MTOR 4584/4885

“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.