SCHEMBL19319951

SCHEMBL19319951

c1ccc2c(-n3c4ccccc4c4cc5c(cc43)sc3c5ccc4c3c3ccccc3n4-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30

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
SCHEMBL19636268 0.90 TDP1 (0.38) GSK3AGSK3BTDP1CNR1CNR2
SCHEMBL17246470 0.86 TDP1 (0.36) GSK3AGSK3BTDP1CNR1CNR2
SCHEMBL11932987 0.86 TDP1 (0.40) GSK3AGSK3BTDP1CNR1CNR2
SCHEMBL19319964 0.86 MAPT (0.33) —
SCHEMBL19319960 0.86 ACP1 (0.34) —
SCHEMBL16482291 0.85 ALOX5 (0.33) GSK3AGSK3BTDP1CNR1CNR2
SCHEMBL19320131 0.85 GABRP (0.36) GSK3B
SCHEMBL19319978 0.84 — —
SCHEMBL19653282 0.84 ALOX5 (0.38) GSK3AGSK3BTDP1CNR1CNR2
SCHEMBL19287659 0.82 — —

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
WO-2021037401-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-04 — — WO disclosed
US-10381574-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same DUK SAN NEOLUX CO., LTD. (KR) 2019-08-13 — — US disclosed
US-20190103561-A1 Compound For Organic Electronic Element, Organic Electrical Element Using Compound, And Electronic Device Comprising Same DUK SAN NEOLUX CO., LTD (KR) 2019-04-04 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — 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 (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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 GSK3A 4634/4885GSK3B 4790/4885TDP1 2081/4885
US-20190103561-A1 Compound For Organic Electronic Element, Organic Electrical Element Using Compound, And Electronic Device Comprising Same ORAI2, VDAC2, PIEZO1 GSK3A 4634/4885GSK3B 4790/4885TDP1 2081/4885
US-10381574-B2 Compound for organic electronic element, organic electrical element using compound, and electronic device comprising same ORAI2, VDAC2, PIEZO1 GSK3A 4634/4885GSK3B 4790/4885TDP1 2081/4885

“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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