SCHEMBL10028165

SCHEMBL10028165

c1ccc2c(-c3ccc4c5ccccc5c5oc6c(-c7cccc8ccccc78)ccc7c8ccccc8c8oc3c4c5-c8c67)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARSA P15289 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
GPR84 Q9NQS5 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP1A2 P05177 2/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PRKDC P78527 1/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 1/20 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
SCHEMBL10028210 0.92 ARSA (0.38) ARSACDC25ACDC25CGPR84ALDH1A1
SCHEMBL10028209 0.83 ALOX5 (0.43) ARSACDC25ACDC25CALDH1A1HPGD
SCHEMBL16801416 0.83 ALDH1A1 (0.48) ARSACDC25ACDC25CGPR84ALDH1A1
SCHEMBL10028169 0.83 ALDH1A1 (0.42) ARSACDC25ACDC25CGPR84ALDH1A1
SCHEMBL1637338 0.81 KDM4E (0.47) ARSACDC25ACDC25CALDH1A1HPGD
SCHEMBL10028163 0.80 CDC14B (0.38) ARSACDC25ACDC25CGPR84ALDH1A1
SCHEMBL431460 0.79 PIK3CD (0.47) GPR84ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18820598 0.78 ALDH1A1 (0.47) ARSACDC25ACDC25CALDH1A1HPGD
SCHEMBL17944088 0.77 ARSA (0.49) ARSACDC25ACDC25CALDH1A1HPGD
SCHEMBL10028131 0.77 GPR84 (0.41) GPR84ALDH1A1HPGDHSD17B10CYP1A2

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 ARSA 1960/4885CDC25A 3550/4885CDC25C 3939/4885

“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.