SCHEMBL10028077

SCHEMBL10028077

O=C(c1ccccc1)c1ccc2oc3ccc4c(C(=O)c5ccccc5)ccc5oc6ccc1c2c6-c3c54

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL10028069 0.84 CDC25B (0.50) AKR1C3KMT2AALDH1A1LMNAATM
SCHEMBL15855770 0.75 AKR1C3 (0.48) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL10028249 0.74 ELANE (0.33) KMT2AMEN1
SCHEMBL10028135 0.74 PDE4A (0.46) KMT2AL3MBTL1ALDH1A1RAB9AHPGD
SCHEMBL5076643 0.73 ALDH1A1 (0.62) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL8598610 0.72 KMT2A (0.57) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL28262545 0.72 CYP2C8 (0.55) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL22645255 0.71 MAPT (0.53) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL11345025 0.71 TYMS (0.71) AKR1C3KMT2AL3MBTL1ALDH1A1MEN1
SCHEMBL10028103 0.71 KMT2A (0.45) KMT2AL3MBTL1ALDH1A1MEN1NPC1

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 6 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
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 AKR1C3 4192/4885KMT2A 3703/4885L3MBTL1 2470/4885

“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.