SCHEMBL14096680

SCHEMBL14096680

Cc1cc2c3c(c4c(c2cc1C)-c1ccc(C(=O)c2ccccc2-c2ccccc2)cc1C41c2ccccc2-c2ccccc21)C1(c2ccccc2-c2ccccc21)c1cc(C(=O)c2ccccc2-c2ccccc2)ccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP2C8 P10632 1/20 0.38
▸ PDK2 Q15119 6/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ HNF4A P41235 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MYC P01106 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
SCHEMBL14096679 0.88 PDK2 (0.50) ALDH1A1PDK2CNR2L3MBTL1POLB
SCHEMBL13423248 0.87 PDK2 (0.43) CYP2C8PDK2MAPK13MAPK12MAPK11
SCHEMBL13423255 0.87 PDK2 (0.43) CYP2C8PDK2MAPK13MAPK12MAPK11
SCHEMBL14096678 0.87 BCL2L1 (0.42) ALDH1A1PDK2CNR2ESR1ESR2
SCHEMBL19292257 0.86 PDK2 (0.33) ALDH1A1CYP2C8PDK2MAPK13MAPK12
SCHEMBL29307110 0.83 PDK2 (0.48) ALDH1A1CYP2C8PDK2MAPK13MAPK12
SCHEMBL19292407 0.79 PDK2 (0.42) ALDH1A1PDK2CNR2L3MBTL1HTR7
SCHEMBL10227419 0.76 CYP2C8 (0.46) ALDH1A1CYP2C8PDK2CNR2MAPK13
SCHEMBL132972 0.76 ALDH1A1 (0.48) ALDH1A1PDK2MAPK13MAPK12MAPK11
SCHEMBL14096705 0.76 PDK2 (0.36) ALDH1A1CYP2C8PDK2MAPK13MAPK12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3211058-B1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-23 — — EP disclosed
EP-3211058-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-08-30 — — EP disclosed
US-8748010-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-06-10 — — US disclosed
US-8748010-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-06-10 — — US disclosed
US-20080193797-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-08-14 — — US disclosed
US-20080193797-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-08-14 — — US disclosed
WO-2007022845-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-03-01 — — 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-20080193797-A1 Novel Materials for Organic Electroluminescent Devices SLC40A1, SLC67A1, SLC29A1 ALDH1A1 356/4885CYP2C8 3975/4885PDK2 2432/4885

“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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