SCHEMBL2128708

SCHEMBL2128708

CC(C)(O)c1ccc2ccccc2c1-c1ccc2oc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GLA P06280 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 3/20 0.37

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
SCHEMBL2606532 0.92 AHR (0.39) KDM4EMAPTHPGDGLATDP1
SCHEMBL13152865 0.80 ALOX5 (0.42) KDM4EMAPTHPGDGLATDP1
SCHEMBL23989117 0.79 ALDH1A1 (0.47) HSP90AA1HSP90AB1KDM4EMAPTHPGD
SCHEMBL20927613 0.77 TDP1 (0.39) KDM4EMAPTHPGDGLATDP1
SCHEMBL12768096 0.77 KDM4E (0.47) KDM4EMAPTHPGDGLATDP1
SCHEMBL2132427 0.77 CYP2C9 (0.42) KDM4EMAPTHPGDGLATDP1
SCHEMBL23823366 0.77 KDM4E (0.50) HSP90AA1HSP90AB1KDM4EMAPTHPGD
SCHEMBL23406342 0.77 ALOX5 (0.51) HSP90AA1HSP90AB1KDM4EMAPTHPGD
SCHEMBL14063310 0.77 HSD17B10 (0.45) KDM4EMAPTHPGDGLATDP1
SCHEMBL30542933 0.77 ALOX5 (0.51) HSP90AA1HSP90AB1KDM4EMAPTHPGD

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
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
EP-2038370-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-03-25 — — EP 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 HSP90AA1 3781/4885HSP90AB1 4182/4885KDM4E 2659/4885

“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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