SCHEMBL23629578

SCHEMBL23629578

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2cccnc2)c1-n1c2ccc(C(C)(C)C)cc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 1/20 0.42
MAOA P21397 1/20 0.42
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
TEK Q02763 1/20 0.36
ADORA1 P30542 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
IKBKB O14920 1/20 0.35
ADORA2A P29274 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL31273426 0.98 CYP11B2 (0.43) KIF11CYP11B2CYP11B1MAOAKDM4E
SCHEMBL31273957 0.94 CYP11B2 (0.47) KIF11CYP11B2CYP11B1MAOAKDM4E
SCHEMBL23341585 0.91 CYP11B2 (0.47) KIF11CYP11B2CYP11B1MAOAKDM4E
SCHEMBL31272879 0.89 CYP11B2 (0.43) KIF11CYP11B2CYP11B1MAOAKDM4E
SCHEMBL23629593 0.87 KDM1A (0.32) KIF11CYP11B2CYP11B1MAOAKDM4E
SCHEMBL23629599 0.86 KIF11 (0.40) KIF11KDM4EHSD17B10HTTALDH1A1
SCHEMBL21840841 0.86 SERPINE1 (0.37) KDM4ERXFP1ALDH1A1MAPT
SCHEMBL23342008 0.84 CYP11B2 (0.45) CYP11B2CYP11B1MAOAKDM4EHSD17B10
SCHEMBL31273257 0.84 KIF11 (0.38) KIF11KDM4EHSD17B10HTTALDH1A1
SCHEMBL23629572 0.83 SERPINE1 (0.36) KDM4ERXFP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-10-22 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2021-10-28 US disclosed
EP-3848352-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME Kyushu University, National University Corporation (JP) 2021-07-14 EP 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-12122768-B2 Benzonitrile derivative, light-emitting material, and light-emitting element using same INTS9, GTF2I, BRI3BP KIF11 3031/4885CYP11B2 2755/4885CYP11B1 3104/4885
US-20210332032-A1 BENZONITRILE DERIVATIVE, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT USING SAME INTS9, GTF2I, BRI3BP KIF11 3031/4885CYP11B2 2755/4885CYP11B1 3104/4885

“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.