SCHEMBL10028069

SCHEMBL10028069

O=C(O)c1ccccc1C(=O)c1ccc2oc3ccc4c(C(=O)c5ccccc5C(=O)O)ccc5oc6ccc1c2c6-c3c54

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.50
PRNP P04156 1/20 0.46
AKR1C3 P42330 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
CDC25A P30304 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40
TYMS P04818 1/20 0.40
NR4A1 P22736 1/20 0.39
LMNA P02545 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL10028077 0.84 AKR1C3 (0.43) AKR1C3ALDH1A1HSD17B10KMT2AATM
SCHEMBL10028249 0.77 ELANE (0.33) CDC25BKMT2A
SCHEMBL15293703 0.74 CDC25B (0.67) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL31144076 0.74 CDC25B (0.67) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL11402284 0.73 ALDH1A1 (0.82) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL29977835 0.73 ALDH1A1 (0.82) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL809436 0.73 ALDH1A1 (0.82) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL19384682 0.73 TYMS (0.77) CDC25BPRNPAKR1C3ALDH1A1ALOX15
SCHEMBL87587 0.69 TTR (0.47) ALDH1A1HSD17B10CYP3A4KMT2ATYMS
SCHEMBL21115371 0.68 TYMS (0.49) ALDH1A1TYMSLMNAWDR5

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 CDC25B 3725/4885PRNP 1944/4885AKR1C3 4192/4885

“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.