SCHEMBL18823085

SCHEMBL18823085

CC(C)(C)c1ccc(C(c2ccc(-n3c(=O)c4cc5c(=O)n(C(C)(C)C)c(=O)c5cc4c3=O)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
RXRA P19793 1/20 0.34
PPARG P37231 6/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PPARA Q07869 2/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL18823083 0.82 MAPT (0.41) NR1H4CA12CA1CA2CA9
SCHEMBL22837832 0.82 NR1H4 (0.39) NR1H4CA12CA1CA2CA9
SCHEMBL21168261 0.82 CA12 (0.35) CA12CA1CA2CA9ESR1
SCHEMBL24899533 0.79 CA12 (0.33) CA12CA1CA2CA9ESR1
SCHEMBL24284038 0.79 CA12 (0.33) CA12CA1CA2CA9ESR1
SCHEMBL12856287 0.77 PGR (0.39) CA12CA1CA2CA9ESR1
SCHEMBL21147736 0.76 CA12 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL10154048 0.76 CA12 (0.45) NR1H4CA12CA1CA2CA9
SCHEMBL13866453 0.76 CA12 (0.40) NR1H4CA12CA1CA2CA9
SCHEMBL21147735 0.73 POLB (0.44) CA12CA1CA2CA9ESR1

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
US-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2022-02-01 US disclosed
US-10559761-B2 Light-emitting material, and organic electroluminescent device KYULUX, INC. (JP) 2020-02-11 US disclosed
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-04-19 US disclosed
US-20180047915-A1 LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2018-02-15 US disclosed
US-20170125700-A1 COMPOUND HAVING TETRAAZATRIPHENYLENE RING STRUCTURE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE KYULUX, INC. (JP) 2017-05-04 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 (5 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-11239439-B2 Material for organic electroluminescent device, light-emitting material, and organic electroluminescent device LEF1, POU2F1, L3MBTL1 NR1H4 4284/4885CA12 4727/4885CA1 4315/4885
US-20180047915-A1 LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE EML4, L1CAM, CRY1 NR1H4 3802/4885CA12 2833/4885CA1 2049/4885
US-10559761-B2 Light-emitting material, and organic electroluminescent device EML4, L1CAM, CRY1 NR1H4 3802/4885CA12 2833/4885CA1 2049/4885
US-20170125700-A1 COMPOUND HAVING TETRAAZATRIPHENYLENE RING STRUCTURE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, TEAD1, LAGE3 NR1H4 3715/4885CA12 2463/4885CA1 2970/4885
US-20180108857-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, LIGHT-EMITTING MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE LEF1, POU2F1, L3MBTL1 NR1H4 4284/4885CA12 4727/4885CA1 4315/4885

“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.