SCHEMBL17816933

SCHEMBL17816933

OC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ PDK2 Q15119 3/20 0.46
▸ CFTR P13569 1/20 0.41
▸ GOPC Q9HD26 1/20 0.41
▸ APEX1 P27695 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 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
SCHEMBL813078 0.98 THRB (0.52) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL30345614 0.98 THRB (0.52) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL30281291 0.90 PDK2 (0.50) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL19039047 0.90 PDK2 (0.50) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL18386005 0.89 THRB (0.45) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL13387439 0.88 P2RX1 (0.46) THRBTDP1P2RX1P2RX3P2RX4
Pyridine SCHEMBL27936442 0.86 RXFP1 (0.45) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL1758787 0.85 P2RX1 (0.53) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL11490930 0.85 CFTR (0.46) THRBTDP1P2RX1P2RX3P2RX4
SCHEMBL22876054 0.85 PDK2 (0.50) THRBTDP1P2RX1P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10593885-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-17 — — US disclosed
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-20170324037-A1 POLYCYCLIC COMPOUND AND ORGANIC ELETROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-09 — — US disclosed
US-20170324037-A1 POLYCYCLIC COMPOUND AND ORGANIC ELETROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-09 — — 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 (4 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-10593885-B2 Polycyclic compound and organic electroluminescence device including the same ARL1, AR, RIF1 THRB 3783/4885TDP1 4010/4885P2RX1 1307/4885
US-20170324037-A1 POLYCYCLIC COMPOUND AND ORGANIC ELETROLUMINESCENCE DEVICE INCLUDING THE SAME AR, ARL1, ESR2 THRB 2703/4885TDP1 2393/4885P2RX1 1377/4885
US-20170317283-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, EFNA1 THRB 4547/4885TDP1 1495/4885P2RX1 1976/4885
US-10573818-B2 Materials for organic electroluminescent devices PIEZO1, LEF1, EFNA1 THRB 4547/4885TDP1 1495/4885P2RX1 1976/4885

“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.

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