SCHEMBL10028130

SCHEMBL10028130

c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c3oc4ccc5c(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6oc7ccc1c3c7-c4c56)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HIF1A Q16665 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPRT1 P00492 1/20 0.35
CYP1A2 P05177 2/20 0.35
FYN P06241 2/20 0.35
AHR P35869 2/20 0.35
ERBB2 P04626 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL10028120 0.86 MAOA (0.42) HPGDHSD17B10ALDH1A1KDM4EMAPT
SCHEMBL10028106 0.84 ALDH1A1 (0.41) HPGDHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL14301626 0.82
SCHEMBL10028126 0.79 CYP1A2 (0.38) ALDH1A1KDM4ECYP1A2FYNAHR
SCHEMBL5821497 0.77 ALDH1A1 (0.54) HPGDHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL17737592 0.77 HPGD (0.35) HPGDHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL10028124 0.77 CYP1A2 (0.43) HPGDALDH1A1KDM4ECYP1A2FYN
SCHEMBL14883008 0.76 L3MBTL1 (0.41) HPGDHSD17B10ALDH1A1TSHRL3MBTL1
SCHEMBL10028128 0.76 GSTP1 (0.41) HPGDHSD17B10ALDH1A1TSHRHIF1A
SCHEMBL10028239 0.73 AHR (0.46) HPGDHSD17B10ALDH1A1TSHRL3MBTL1

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
EP-2046915-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-12-02 EP disclosed
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 HPGD 2997/4885HSD17B10 2763/4885ALDH1A1 220/4885

“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.