SCHEMBL21793205

SCHEMBL21793205

Oc1ccc(C2(c3ccc(Oc4ccccc4)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
PDK2 Q15119 2/20 0.44
PDE4D Q08499 3/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
POLB P06746 1/20 0.34
MCL1 Q07820 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
SCHEMBL21793191 0.89 PDK2 (0.48) PDK2PDE4DESR1ESR2MEN1
SCHEMBL14823249 0.89 PDK2 (0.42) LTA4HNR1H2BAXPDK2MEN1
SCHEMBL3813379 0.89 PDK2 (0.50) PDK2PDE4DESR1ESR2MEN1
SCHEMBL6441263 0.89 PDK2 (0.42) LTA4HNR1H2BAXPDK2MEN1
SCHEMBL29523761 0.89 PDK2 (0.50) PDK2PDE4DESR1ESR2MEN1
SCHEMBL20960622 0.88 LTA4H (0.60) LTA4HNR1H2BAXPDK2PDE4D
SCHEMBL17010782 0.85 LTA4H (0.42) LTA4HNR1H2BAXPDK2PDE4D
SCHEMBL13129740 0.85 PDK2 (0.43) LTA4HPDK2MEN1KMT2AMAPT
SCHEMBL22197216 0.85 PDK2 (0.44) PDK2PDE4DESR1ESR2MEN1
SCHEMBL16902923 0.85 LTA4H (0.53) LTA4HNR1H2BAXPDK2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472966-B2 Coating composition, organic light-emitting diode using same and method for preparing same LG CHEM, LTD. 2022-10-18 US disclosed
US-11377570-B2 Ink composition for organic light emitting device LG CHEM, LTD. 2022-07-05 US disclosed
US-11274213-B2 Compound, coating composition comprising same, organic light-emitting diode using same, and method for preparing same LG CHEM, LTD. 2022-03-15 US disclosed
US-20200308435-A1 Ink Composition for Organic Light Emitting Device LG CHEM, LTD. (KR) 2020-10-01 US disclosed
US-20200259095-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Diode Using Same, and Method for Preparing Same LG CHEM, LTD. (KR) 2020-08-13 US disclosed
WO-2020045904-A1 INK COMPOSITION FOR ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2020-03-05 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 (3 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-20200259095-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Diode Using Same, and Method for Preparing Same SEM1, SETDB1, ORMDL3 LTA4H 959/4885NR1H2 354/4885BAX 3948/4885
US-11472966-B2 Coating composition, organic light-emitting diode using same and method for preparing same OR10J3, SEM1, ORMDL3 LTA4H 1069/4885NR1H2 814/4885BAX 3582/4885
US-11274213-B2 Compound, coating composition comprising same, organic light-emitting diode using same, and method for preparing same SEM1, SETDB1, ORMDL3 LTA4H 959/4885NR1H2 354/4885BAX 3948/4885

“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.