SCHEMBL17486299

SCHEMBL17486299

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.37
RARA P10276 5/20 0.37
BACE1 P56817 2/20 0.36
RARG P13631 6/20 0.35
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
RXRA P19793 3/20 0.33
HPGDS O60760 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GRIA2 P42262 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17486296 0.85 RARA (0.38) RARBRARABACE1RARGABCB1
SCHEMBL17486329 0.84 RARB (0.42) RARBRARARARGRXRAHPGDS
SCHEMBL17486029 0.83 RARB (0.44) RARBRARARARGRXRAHPGDS
SCHEMBL17486101 0.82 HSD17B1 (0.35) BACE1HPGDSHSD17B1HSD17B2NPC1
SCHEMBL17486077 0.82 RARA (0.38) RARBRARARARGABCB1ABCC1
SCHEMBL17486298 0.82 RARA (0.36) RARBRARABACE1RARGRXRA
SCHEMBL17485986 0.82 RARA (0.36) RARBRARABACE1RARGRXRA
SCHEMBL17486338 0.81 NPC1 (0.39) RARBRARARARGRXRANPC1
SCHEMBL17486072 0.80 BACE1 (0.33) BACE1HPGDSHSD17B1HSD17B2NPC1
SCHEMBL18015622 0.80 KDM1A (0.38) RARBRARABACE1RARGABCB1

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 3284/4885BACE1 2807/4885

“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.