SCHEMBL17816784

SCHEMBL17816784

CC1(C)OB(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc4-c4ccccc43)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.43
LPL P06858 8/20 0.43
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P4HB P07237 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL17470489 0.99 LIPG (0.44) LIPGLPLESR1ESR2MEN1
SCHEMBL29603064 0.99 LIPG (0.44) LIPGLPLESR1ESR2MEN1
SCHEMBL12166505 0.96 LIPG (0.43) LIPGLPLESR1ESR2MEN1
SCHEMBL19735690 0.93 LIPG (0.40) LIPGLPLESR1ESR2MEN1
SCHEMBL22173457 0.92 LIPG (0.52) LIPGLPLESR1ESR2MEN1
SCHEMBL22173458 0.91 LIPG (0.50) LIPGLPLESR1ESR2MEN1
SCHEMBL105120 0.89 LPL (0.38) LIPGLPLESR1ESR2MEN1
SCHEMBL24336518 0.89 ESR1 (0.39) LIPGLPLESR1ESR2MEN1
SCHEMBL20969352 0.88 EGFR (0.39) LIPGLPLESR1ESR2MEN1
SCHEMBL17816875 0.88 LIPG (0.45) LIPGLPLESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-10573818-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-02-25 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-02 US disclosed
WO-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 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 (2 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-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 LIPG 3194/4885LPL 3967/4885ESR1 263/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 LIPG 3194/4885LPL 3967/4885ESR1 263/4885

“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.