SCHEMBL10028146

SCHEMBL10028146

c1ccc2c(-c3ccc4cc5oc6ccc7c8cc(-c9cccc%10ccccc9%10)ccc8cc8oc9ccc(c4c3)c5c9-c6c87)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
AHR P35869 4/20 0.37
CYP1A2 P05177 3/20 0.37
HPGD P15428 2/20 0.37
FYN P06241 2/20 0.37
HIF1A Q16665 2/20 0.37
MAOA P21397 2/20 0.37
ERBB2 P04626 1/20 0.37
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PAX8 Q06710 2/20 0.36

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
SCHEMBL10028145 0.86 WEE1 (0.40) ALDH1A1AHRCYP1A2FYNKMT2A
SCHEMBL10028151 0.84 CTSD (0.39) MCL1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL10028158 0.84 AHR (0.41) ACMSDAHRCYP1A2HPGDCYP1A1
SCHEMBL10028239 0.81 AHR (0.46) ALDH1A1HSD17B10AHRCYP1A2HPGD
SCHEMBL10028088 0.80 MEN1 (0.40) MCL1ACMSDALDH1A1HSD17B10AHR
SCHEMBL4567313 0.80 TDP1 (0.43) ALDH1A1HSD17B10AHRCYP1A2HPGD
SCHEMBL10028196 0.80 MAOA (0.38) ALDH1A1HSD17B10AHRCYP1A2HPGD
SCHEMBL10028161 0.80 MCL1 (0.37) MCL1ACMSDALDH1A1HSD17B10CYP1A2
SCHEMBL13507139 0.80 MCL1 (0.43) MCL1ACMSDALDH1A1HSD17B10AHR
SCHEMBL13979514 0.79 MCL1 (0.47) MCL1ACMSDALDH1A1HSD17B10CYP1A2

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 MCL1 4030/4885ACMSD 1730/4885ALDH1A1 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.