SCHEMBL2606532

SCHEMBL2606532

CC(C)(O)c1ccc2ccccc2c1-c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.39
▸ DUSP3 P51452 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HCRTR1 O43613 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ALOX5 P09917 2/20 0.34
▸ GLA P06280 1/20 0.34

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
SCHEMBL2128708 0.92 HSP90AA1 (0.40) AHRKMT2AMAPTKDM4EMEN1
SCHEMBL25252117 0.84 AHR (0.41) AHRDUSP3KMT2AMAPTKDM4E
SCHEMBL13152865 0.80 ALOX5 (0.42) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL23989114 0.79 KMT2A (0.46) AHRDUSP3KMT2AMAPTKDM4E
SCHEMBL25249013 0.79 ALOX5 (0.49) AHRDUSP3KMT2AMAPTKDM4E
SCHEMBL20927613 0.77 TDP1 (0.39) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL2132427 0.77 CYP2C9 (0.42) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL14063310 0.77 HSD17B10 (0.45) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL22881843 0.77 ALOX5 (0.51) AHRDUSP3KMT2AMAPTKDM4E
SCHEMBL24432243 0.76 MEN1 (0.50) AHRDUSP3KMT2AMAPTKDM4E

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
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
WO-2008006449-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-17 — — 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 AHR 1849/4885DUSP3 4802/4885KMT2A 3948/4885

“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.

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