SCHEMBL16201554

SCHEMBL16201554

Cc1cc(C)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.52
SYK P43405 1/20 0.49
PGR P06401 3/20 0.47
AR P10275 1/20 0.47
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
GABRA1 P14867 1/20 0.46
IDO1 P14902 2/20 0.45
NOTUM Q6P988 1/20 0.45
MAOB P27338 1/20 0.45
GRM5 P41594 1/20 0.44

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
SCHEMBL7386770 0.90 CLK4 (0.53) CLK4PGRARGABRG2GABRB3
SCHEMBL7506044 0.88 CLK4 (0.45) CLK4SYKPGRARGABRG2
SCHEMBL22570759 0.88 CLK4 (0.45) CLK4SYKPGRARGABRG2
SCHEMBL21480441 0.86 GRM5 (0.50) CLK4SYKPGRARXDH
SCHEMBL28579957 0.85 ALDH1A1 (0.50) CLK4ARGRM5
SCHEMBL2154026 0.85 CLK4 (0.65) CLK4PGRGABRG2GABRB3GABRA5
SCHEMBL4443914 0.84 ALDH1A1 (0.52) CLK4PGRARGABRG2GABRB3
SCHEMBL17051411 0.84 AR (0.50) CLK4ARGRM5
SCHEMBL16201506 0.84 AR (0.50) CLK4ARGRM5
SCHEMBL24099540 0.83 GRM5 (0.45) CLK4SYKPGRARGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2022-10-20 US disclosed
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element UDC IRELAND LIMITED (IE) 2021-11-09 US disclosed
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 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 (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-20220336752-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element L1CAM, NR2E3, OR10J3 CLK4 827/4885SYK 3211/4885PGR 1499/4885
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element L1CAM, OR10J3, INTS9 CLK4 1033/4885SYK 2997/4885PGR 1920/4885

“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.