SCHEMBL291785

SCHEMBL291785

CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2)c2cc(-c3cccc4ccccc34)c(C(O)(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2-c2cccc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
ADRA2A P08913 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13309156 0.89 CYP2C19 (0.41) CYP2D6NR1I2LMNAADRA2AACHE
SCHEMBL10041249 0.88 CYP2D6 (0.43) CYP2D6NR1I2LMNAADRA2AACHE
SCHEMBL293550 0.80 PPARG (0.41) HPGDCYP2C9CYP2C19CYP1A2HSD17B10
SCHEMBL14096717 0.79 RAB9A (0.41) CYP2D6LMNAHPGDCYP2C9CYP2C19
SCHEMBL13776777 0.76 CYP2C19 (0.53) CYP2D6HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL2625111 0.75 CNR2 (0.35) KCNH2PPARGPPARAL3MBTL1
SCHEMBL1023160 0.75 PPARG (0.53) CYP2D6NR1I2LMNAADRA2AACHE
SCHEMBL17500131 0.75 MEN1 (0.50) CYP2D6HPGDCYP2C19CYP1A2HSD17B10
SCHEMBL10299008 0.74 PPARG (0.46) HPGDCYP2C9CYP2C19HSD17B10MEN1
SCHEMBL7955330 0.74 ALDH1A1 (0.42) CYP2D6NR1I2LMNAADRA2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 US disclosed
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 US disclosed
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 US disclosed
EP-2024310-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-14 EP disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 US disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 US disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 US disclosed
EP-2024310-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2009-02-18 EP disclosed
WO-2007140847-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-13 WO disclosed
WO-2007140847-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-13 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-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO1A2 CYP2D6 1388/4885NR1I2 2719/4885LMNA 2369/4885

“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.