SCHEMBL21153365

SCHEMBL21153365

CC(C)CNC(=O)CNC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.44
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
HPGD P15428 6/20 0.43
EPHX1 P07099 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL15980869 0.81 ALDH1A1 (0.46) CYP2D6CYP2C19EPHX1USP2LMNA
SCHEMBL22928990 0.79 MTNR1A (0.34) CYP2D6CYP2C19RECQLHPGD
SCHEMBL21017431 0.79 MCL1 (0.41) CYP2D6CYP2C19MMP1MMP8EPHX1
SCHEMBL13373810 0.79 CYP2D6 (0.52) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL10381056 0.79 CYP2D6 (0.52) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL22134299 0.78 CNR1 (0.44) CYP2C19MMP8HPGDLMNASMN1; SMN2
SCHEMBL10447542 0.78 CYP2D6 (0.62) CYP2D6CYP2C19RECQLMMP1MMP8
SCHEMBL24307188 0.77 ALDH1A1 (0.33) CYP2D6CYP2C19RECQLLMNAMAPT
SCHEMBL25443810 0.77 KMT2A (0.50) HPGDEPHX1SMN1; SMN2KMT2AKDM4E
SCHEMBL25443809 0.77 KMT2A (0.44) HPGDEPHX1SMN1; SMN2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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 (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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 CYP2D6 4274/4885CYP2C19 4486/4885RECQL 4668/4885

“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.