SCHEMBL22403063

SCHEMBL22403063

C=C(CCC(C)(C)C)NCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL25760276 0.79 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL18625376 0.76 CYP2D6 (0.41) CYP2D6CYP2C19MMP1MMP8MLYCD
SCHEMBL27413407 0.76 ALDH1A1 (0.31)
SCHEMBL16473882 0.75 CYP2D6 (0.46) CYP2D6CYP2C19MMP1MMP8MLYCD
SCHEMBL24477409 0.74 TSHR (0.33)
SCHEMBL18649346 0.72 KDM4C (0.34) MMP1
SCHEMBL21291218 0.72 EPHX1 (0.44) CYP2D6CYP2C19MMP1MMP8
SCHEMBL21116887 0.71
SCHEMBL21291261 0.71 CYP2D6 (0.37) CYP2D6CYP2C19MMP1MMP8
SCHEMBL24764125 0.71 CYP2D6 (0.37) CYP2D6CYP2C19MMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241227-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-08-03 US disclosed
US-20230134817-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-05-04 US disclosed
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-05-04 US disclosed
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor MONTELINO THERAPEUTICS, INC. (US) 2023-01-10 US disclosed
US-20200282068-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2020-09-10 US 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 (5 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-20230241227-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 CYP2D6 2573/4885CYP2C19 4360/4885MMP1 4152/4885
US-20200282068-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 CYP2D6 2573/4885CYP2C19 4360/4885MMP1 4152/4885
US-20230134817-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 CYP2D6 2314/4885CYP2C19 4173/4885MMP1 4169/4885
US-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor AR, ADRM1, PSMA3 CYP2D6 2314/4885CYP2C19 4173/4885MMP1 4169/4885
US-20230132823-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR AR, ADRM1, PSMA3 CYP2D6 2314/4885CYP2C19 4173/4885MMP1 4169/4885

“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.