SCHEMBL21847396

SCHEMBL21847396

CC(C)(N)C#CCCC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 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
SCHEMBL10271777 0.76
Hydrochloric Acid SCHEMBL5156904 0.74 LMNA (0.31) LMNA
SCHEMBL14845424 0.72 ALDH1A1 (0.40) LMNA
SCHEMBL3221661 0.70
SCHEMBL21846908 0.70
SCHEMBL3227769 0.70 LMNA (0.38) LMNA
SCHEMBL5158331 0.69
Hydrochloric Acid SCHEMBL1359839 0.69 LMNA (0.37) LMNA
SCHEMBL23660487 0.68 LMNA (0.31) LMNA
Hydrochloric Acid SCHEMBL1361060 0.67 TSHR (0.37) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2021-07-22 US disclosed
WO-2020055976-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2020-03-19 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 (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-20210221821-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3, 2-F][1, 2, 4]TRIAZOLO[4, 3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER BRD4, BRD3, BRD2 LMNA 2949/4885

“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.