SCHEMBL22256382

SCHEMBL22256382

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 2/20 0.32
MLYCD O95822 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
EPHX1 P07099 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
TAS1R3 Q7RTX0 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
SCHEMBL23945851 0.79
SCHEMBL24383368 0.78 MLYCD (0.42) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL23945444 0.74
SCHEMBL22606070 0.71 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL18610515 0.70
SCHEMBL18624716 0.70
SCHEMBL23945891 0.70 EPHX1 (0.33) EPHX1KMT2A
SCHEMBL22861775 0.70 EPHX1 (0.33) EPHX1KMT2A
SCHEMBL23945680 0.70 EPHX1 (0.33) EPHX1KMT2A
SCHEMBL20070641 0.70 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8CNR2

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
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
US-20230241227-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR DBD THERAPEUTICS, LLC 2023-08-03 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
US-20200230249-A1 PEPTIDE-OLIGOUREA HYBRID COMPOUNDS UREKA SARL (FR) 2020-07-23 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 (4 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-11547759-B2 Bi-functional compounds and methods for targeted ubiquitination of androgen receptor AR, ADRM1, PSMA3 CYP2D6 2314/4885CYP2C19 4173/4885MMP1 4169/4885
US-20200230249-A1 PEPTIDE-OLIGOUREA HYBRID COMPOUNDS IAPP, NGLY1, NPPA CYP2D6 4766/4885CYP2C19 4792/4885MMP1 4447/4885

“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.