SCHEMBL22080929

SCHEMBL22080929

C=CC(C)(C)CC(C)(C)N1CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
PIK3CD O00329 1/20 0.33
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
CHRM2 P08172 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
APEX1 P27695 2/20 0.31
PMP22 Q01453 2/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 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
SCHEMBL11028251 0.80 BRD4 (0.40) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL6606439 0.77 BRD4 (0.40) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL22081453 0.76 BRD4 (0.36) BRD4BRD2PIK3CDLMNATSHR
SCHEMBL10093754 0.74 BRD4 (0.41) BRD4BRD2PIK3CDLMNAMAPK1
SCHEMBL6608794 0.74 BRD4 (0.38) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL21465976 0.73 BRD4 (0.40) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL4508963 0.73 BRD4 (0.40) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL25988587 0.72 BRD4 (0.39) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL19918791 0.72 BRD4 (0.39) BRD4BRD2PIK3CDLMNAALDH1A1
SCHEMBL19106731 0.70 PIK3CD (0.47) BRD4BRD2PIK3CDLMNAALDH1A1

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-20210122769-A1 SILOXANE COMPOUND AND A METHOD FOR PREPARING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-04-29 US disclosed
EP-3663303-A1 SILOXANE COMPOUND AND PRODUCTION METHOD FOR SAME Shin-Etsu Chemical Co., Ltd. (JP) 2020-06-10 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-20210122769-A1 SILOXANE COMPOUND AND A METHOD FOR PREPARING THE SAME HAO2, SEM1, MSMO1 BRD4 4845/4885BRD2 4300/4885PIK3CD 3958/4885

“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.