SCHEMBL23444991

SCHEMBL23444991

CC(C)(C)c1ccc(-c2cc([Si](C)(C)C)ccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ S1PR1 P21453 1/20 0.47
▸ DGAT1 O75907 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ IKBKB O14920 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL23432313 0.82 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL29911234 0.82 NPC1 (0.49) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL28310672 0.79 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6573941 0.79 RAB9A (0.46) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL24174951 0.77 TSHR (0.50) NPC1RAB9ATP53SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7693578 0.77 RAB9A (0.45) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL5715974 0.76 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL19735232 0.76 KIF11 (0.58) NPC1RAB9ATP53SMN1; SMN2LMNA
SCHEMBL6570759 0.75 ALDH1A1 (0.36) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL22567795 0.75 S1PR1 (0.48) NPC1RAB9ATP53SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113906580-B Organic light-emitting element 株式会社LG化学 2023-12-08 — — CN disclosed
US-11780856-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-10-10 — — US disclosed
US-11780856-B2 Compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-10-10 — — US disclosed
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 — — US disclosed
CN-113348172-B Compound and organic light emitting device including the same 株式会社LG化学 2022-10-11 — — CN disclosed
WO-2021107681-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO disclosed
WO-2021107680-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-06-03 — — WO 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-11780856-B2 Compound and organic light-emitting device comprising same CRY1, CRY2, LEF1 NPC1 834/4885RAB9A 2572/4885TP53 3254/4885
US-11685751-B2 Compound and organic light-emitting element comprising same CRY1, CRY2, LEF1 NPC1 819/4885RAB9A 2937/4885TP53 2764/4885

“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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