SCHEMBL10028172

SCHEMBL10028172

c1ccc(N(c2ccccc2)c2cc(-c3cccc4ccccc34)c3c4ccccc4c4oc5c(N(c6ccccc6)c6ccccc6)cc(-c6cccc7ccccc67)c6c7ccccc7c7oc2c3c4-c7c56)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ARSA P15289 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25C P30307 1/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL10028171 0.84 CDK1 (0.30) GPR84MAPT
SCHEMBL10028169 0.84 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL17304539 0.84
SCHEMBL26559803 0.76 GPR84 (0.38) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL22817793 0.74 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL10028165 0.74 ARSA (0.43) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL10028167 0.74
SCHEMBL22818261 0.73 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL15852466 0.73 PTGES (0.34) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL26433437 0.73 KDM4E (0.33) ALDH1A1HPGDHSD17B10L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 ALDH1A1 220/4885HPGD 2997/4885HSD17B10 2763/4885

“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.