SCHEMBL21768552

SCHEMBL21768552

CC(C)(C)c1cccc(-c2nc(Cl)nc(-c3cccc(C(C)(C)C)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ACHE P22303 3/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL23959681 0.87 KIF11 (0.61) KIF11RXRARXRBABCG2KDM4E
SCHEMBL18562444 0.86 CNR2 (0.43) KIF11RXRARXRBABCG2KDM4E
SCHEMBL16520904 0.85 ABCG2 (0.55) KIF11RXRARXRBABCG2KDM4E
SCHEMBL23843786 0.85 ABCG2 (0.55) KIF11RXRARXRBABCG2KDM4E
SCHEMBL25774982 0.84 L3MBTL1 (0.53) KIF11RXRARXRBABCG2KDM4E
SCHEMBL25806704 0.83 MEN1 (0.43) ABCG2KDM4EMAPTMEN1ALDH1A1
SCHEMBL25686257 0.83 ABCG2 (0.40) KIF11RXRARXRBABCG2KDM4E
SCHEMBL19735241 0.82 RXRA (0.58) KIF11RXRARXRBABCG2KDM4E
SCHEMBL19862787 0.82 RXRA (0.58) KIF11RXRARXRBABCG2KDM4E
SCHEMBL17477809 0.81 KDM4E (0.60) KIF11RXRARXRBKDM4EGAA

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-20230200232-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT COMPRISING SAME, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230200232-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT COMPRISING SAME, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
EP-3617290-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-03-09 EP disclosed
EP-3617290-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-03-04 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 (1 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-20230200232-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT COMPRISING SAME, AND ELECTRONIC APPARATUS EXOSC10, NUDC, NSFL1C KIF11 3183/4885RXRA 4645/4885RXRB 4736/4885

“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.