SCHEMBL12070862

SCHEMBL12070862

CC(C)(C)C(c1nc2ccccc2c2nc3ccccc3n12)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.63
▸ MAPT P10636 6/20 0.63
▸ POLB P06746 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ TP53 P04637 2/20 0.63
▸ ALDH1A1 P00352 7/20 0.55
▸ HPGD P15428 6/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ GAA P10253 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ BCL2 P10415 1/20 0.40
▸ TSHR P16473 2/20 0.40

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
SCHEMBL12071695 0.87 KDM4E (0.61) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12071697 0.84 KDM4E (0.65) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12070874 0.83 KDM4E (0.64) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12070879 0.79 KDM4E (0.62) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12070878 0.79 KDM4E (0.60) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12070876 0.78 KDM4E (0.61) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL10483331 0.78 KDM4E (0.57) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL10513812 0.78 KDM4E (1.00) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL10061532 0.77 ALDH1A1 (0.72) KDM4EMAPTPOLBHSD17B10LMNA
SCHEMBL12070875 0.74 KDM4E (0.56) KDM4EMAPTPOLBHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 — — US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 — — US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 — — US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 — — US disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 — — 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-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885MAPT 1164/4885POLB 810/4885

“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.

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