SCHEMBL12003391

SCHEMBL12003391

Cc1cc(C)cc(-c2ccc3cc(Br)ccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.49
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NCK1 P16333 1/20 0.37
LMNA P02545 1/20 0.37
CASP6 P55212 1/20 0.37
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
NR4A1 P22736 1/20 0.36
PPARG P37231 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL4128022 0.84 CYP1A2 (0.57) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL7604661 0.82 ESR1 (0.56) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL7265492 0.81 BACE1 (0.63) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL30624706 0.79 ESR1 (0.42) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL29128980 0.79 ESR1 (0.42) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL13399631 0.79 BACE1 (0.49) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL3716180 0.79 BACE1 (0.52) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL4140727 0.78 ESR1 (0.41) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL30625008 0.78 ESR1 (0.41) BACE1ESR1ESR2CYP1A2KDM4E
SCHEMBL12005130 0.78 ESR1 (0.41) BACE1ESR1ESR2CYP1A2KDM4E

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
US-8492006-B2 Germanium-containing red emitter materials for organic light emitting diode UNIVERSAL DISPLAY CORPORATION (US) 2013-07-23 US disclosed
US-8492006-B2 Germanium-containing red emitter materials for organic light emitting diode UNIVERSAL DISPLAY CORPORATION (US) 2013-07-23 US disclosed
US-8492006-B2 Germanium-containing red emitter materials for organic light emitting diode UNIVERSAL DISPLAY CORPORATION (US) 2013-07-23 US disclosed
US-20120217868-A1 GERMANIUM-CONTAINING RED EMITTER MATERIALS FOR ORGANIC LIGHT EMITTING DIODE UNIVERSAL DISPLAY CORPORATION (US) 2012-08-30 US disclosed
WO-2012116243-A1 GERMANIUM-CONTAINING RED EMITTER MATERIALS FOR ORGANIC LIGHT EMITTING DIODE UNIVERSAL DISPLAY CORPORATION (US) 2012-08-30 WO disclosed
US-20120217868-A1 GERMANIUM-CONTAINING RED EMITTER MATERIALS FOR ORGANIC LIGHT EMITTING DIODE UNIVERSAL DISPLAY CORPORATION (US) 2012-08-30 US disclosed
US-20120217868-A1 GERMANIUM-CONTAINING RED EMITTER MATERIALS FOR ORGANIC LIGHT EMITTING DIODE UNIVERSAL DISPLAY CORPORATION (US) 2012-08-30 US 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-20120217868-A1 GERMANIUM-CONTAINING RED EMITTER MATERIALS FOR ORGANIC LIGHT EMITTING DIODE IK, NR2E3, EML4 BACE1 3740/4885ESR1 183/4885ESR2 119/4885

“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.