SCHEMBL16940872

SCHEMBL16940872

CC(C)(C)c1cccc(N2c3ccccc3Oc3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NOTUM Q6P988 1/20 0.38
ESRRA P11474 1/20 0.36
AR P10275 1/20 0.35
P2RX4 Q99571 8/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
GRM2 Q14416 1/20 0.33
KIF11 P52732 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL19862784 0.84 NR1H3 (0.37) P2RX4MAPTSMN1; SMN2NPSR1KIF11
SCHEMBL17951553 0.82 P2RX4 (0.42) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL14932219 0.81 P2RX4 (0.38) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL18905720 0.80 HDAC4 (0.42) HDAC4HDAC2HDAC8NOTUMESRRA
SCHEMBL16940879 0.79 AR (0.38) HDAC4HDAC2HDAC8NOTUMESRRA
SCHEMBL18627669 0.79
SCHEMBL23992542 0.79 KIF11 (0.37) NOTUMKIF11
SCHEMBL15183663 0.79 NPC1 (0.35) P2RX4KIF11
SCHEMBL12620259 0.78 RXRB (0.35) P2RX4MAPTSMN1; SMN2NPSR1
SCHEMBL12620357 0.78 RXRB (0.35) P2RX4MAPTSMN1; SMN2NPSR1

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
US-20200235315-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-23 US disclosed
US-9905772-B2 Material for organic electroluminescence device and use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2018-02-27 US disclosed
US-9905772-B2 Material for organic electroluminescence device and use thereof LUMINESCENCE TECHNOLOGY CORP. (TW) 2018-02-27 US disclosed
US-20170077410-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. (TW) 2017-03-16 US disclosed
US-20170077410-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. (TW) 2017-03-16 US disclosed
US-9537103-B1 Material for organic electroluminescence device and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2017-01-03 US disclosed
US-20160380207-A1 TRIPHENYLENE-BASED FUSED BISCARBAZOLE DERIVATIVE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-12-29 US disclosed
US-20160372679-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP. (TW) 2016-12-22 US disclosed
US-20160211456-A1 PHENANTHRO[9,10-b]TETRAPHENYLENE DERIVATIVE AND USE THEREOF LUMINESCENCE TECHNOLOGY CORP. 2016-07-21 US disclosed
US-9190619-B2 Compound for organic electroluminescence device LUMINESCENCE TECHNOLOGY CORP (TW) 2015-11-17 US disclosed
US-20150214492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LUMINESCENCE TECHNOLOGY CORP (TW) 2015-07-30 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 (6 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-20200235315-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TRPA1, PIEZO1, SLCO4C1 HDAC4 4226/4885HDAC2 4568/4885HDAC8 4453/4885
US-20160372679-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENCE DEVICE CCNE2, CYP3A4, CCNE1 HDAC4 1191/4885HDAC2 1504/4885HDAC8 3944/4885
US-20150214492-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, LEF1, SLCO2B1 HDAC4 4632/4885HDAC2 3969/4885HDAC8 4785/4885
US-20160211456-A1 PHENANTHRO[9,10-b]TETRAPHENYLENE DERIVATIVE AND USE THEREOF POP1, TERB1, AP2B1 HDAC4 4705/4885HDAC2 3354/4885HDAC8 4666/4885
US-20160380207-A1 TRIPHENYLENE-BASED FUSED BISCARBAZOLE DERIVATIVE AND USE THEREOF CCNT1, CCNE1, CCNE2 HDAC4 2278/4885HDAC2 1618/4885HDAC8 1668/4885
US-20170077410-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND USE THEREOF HBS1L, EML4, EBPL HDAC4 4216/4885HDAC2 4351/4885HDAC8 4755/4885

“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.