SCHEMBL1772271

SCHEMBL1772271

Cc1ccc(-c2c(C(C)(C)O)cccc2C(C)(C)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 2/20 0.41
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
PABPC1 P11940 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CES2 O00748 1/20 0.33
KDM1A O60341 1/20 0.33
EED O75530 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12602809 0.91 CA2 (0.38) MAPTKDM4EALDH1A1GABRA1GABRB2
SCHEMBL17278051 0.85 CA2 (0.43) MAPTALDH1A1GABRA1GABRB2TDP1
SCHEMBL9270026 0.80 DHFR (0.42) CYP1A2CYP2A6KDM4EALDH1A1SLC22A12
SCHEMBL16852471 0.79 CYP1A2 (0.56) CYP1A2CYP2A6MAPTKDM4EALDH1A1
SCHEMBL12602812 0.77 CA2 (0.39) CYP1A2MAPTKDM4EALDH1A1GABRA1
SCHEMBL12650307 0.75 MYC (0.30)
SCHEMBL2380918 0.74 CYP1A2 (0.68) CYP1A2CYP2A6MAPTKDM4EPABPC1
SCHEMBL29416731 0.74 CYP1A2 (0.68) CYP1A2CYP2A6MAPTKDM4EPABPC1
SCHEMBL260441 0.74 CYP1A2 (0.68) CYP1A2CYP2A6MAPTKDM4EPABPC1
SCHEMBL28836547 0.73 CYP1A2 (0.54) CYP1A2CYP2A6MAPTKDM4EPABPC1

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
EP-2340290-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
EP-2340290-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
US-8901298-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-12-02 US disclosed
US-8901298-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-12-02 US disclosed
US-8901298-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-12-02 US disclosed
EP-2340290-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2011-07-06 EP disclosed
US-20110112275-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110112275-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110112275-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010049050-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-05-06 WO disclosed
WO-2010049050-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-05-06 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-20110112275-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES LAGE3, EML4, MCM4 CYP1A2 1092/4885CYP2A6 3166/4885MAPT 1785/4885

“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.