SCHEMBL21606911

SCHEMBL21606911

CCOC(=O)CCc1cnnn1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.65
ALDH1A1 P00352 3/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP19A1 P11511 3/20 0.46
MAPT P10636 1/20 0.46
PTGS2 P35354 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL21606733 0.89 HSD11B1 (0.67) HSD11B1ALDH1A1CYP11B1CYP11B2MAPK1
SCHEMBL23812236 0.85 HSD11B1 (0.59) HSD11B1ALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL21606708 0.83 HSD11B1 (0.77) HSD11B1CYP11B1CYP11B2MAPK1LMNA
SCHEMBL21606709 0.82 HSD11B1 (0.61) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL5119177 0.79 ALDH1A1 (0.49) ALDH1A1CYP11B1CYP11B2CYP19A1MAPT
SCHEMBL13285421 0.78 HSD11B1 (0.50) HSD11B1ALDH1A1CYP19A1PTGS2MAPK1
SCHEMBL9642301 0.78 CYP11B1 (0.77) CYP11B1CYP11B2CYP4F2CYP4A11TDP1
SCHEMBL5119777 0.77 PPARG (0.55) ALDH1A1CYP11B1CYP11B2MAPK1LMNA
SCHEMBL11534274 0.77 CYP19A1 (0.51) ALDH1A1CYP19A1MAPTMAPK1CYP4F2
SCHEMBL11528186 0.77 CYP19A1 (0.51) ALDH1A1CYP19A1MAPTMAPK1CYP4F2

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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 HSD11B1 3808/4885ALDH1A1 2241/4885CYP11B1 3864/4885

“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.