SCHEMBL1760563

SCHEMBL1760563

CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 7/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ HTT P42858 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TSPO P30536 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
SCHEMBL19104482 0.94 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL16978534 0.94 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15625655 0.94 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL12647627 0.94 ALDH1A1 (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15625656 0.94 KDM4E (0.35) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL1079319 0.92 MAPT (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL18505534 0.92 CAMK2D (0.32) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL16978541 0.91 KDM4E (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19104580 0.91 KDM4E (0.30) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL2603593 0.90 CAMK2D (0.32) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 — — US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 — — US disclosed
US-9090590-B2 Organic compounds for electroluminescent devices MERCK PATENT GMBH (DE) 2015-07-28 — — US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 — — US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 — — US disclosed
US-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-02-28 — — US disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 — — WO disclosed
WO-2011057701-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-05-19 — — 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-20130053558-A1 ORGANIC COMPOUNDS FOR ELECTROLUMINESCENT DEVICES PIEZO1, EMC1, EPCAM KDM4E 3460/4885ALDH1A1 62/4885HPGD 1616/4885

“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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