SCHEMBL2132427

SCHEMBL2132427

CC(C)(O)c1ccc2ccccc2c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2C19 P33261 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ WDR5 P61964 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GPR84 Q9NQS5 2/20 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
SCHEMBL14063310 0.97 HSD17B10 (0.45) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL15870859 0.91 HPGD (0.37) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL15870870 0.87 MEN1 (0.43) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL15865044 0.86 HSD17B10 (0.36) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL13152865 0.84 ALOX5 (0.42) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL17256119 0.80 GPR84 (0.40) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL13024416 0.79 PDE4A (0.36) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL15505858 0.78 HSD17B10 (0.60) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL13248659 0.78 HSD17B10 (0.42) CYP2C9CYP2C19HSD17B10HPGDCYP1A2
SCHEMBL2128708 0.77 HSP90AA1 (0.40) HSD17B10HPGDHIF1AALDH1A1MAPT

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 11 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
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
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
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
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 CYP2C9 1008/4885CYP2C19 1015/4885HSD17B10 2545/4885

“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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