SCHEMBL21606733

SCHEMBL21606733

O=C(CCc1cnnn1Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.67
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL21606911 0.89 HSD11B1 (0.65) HSD11B1MAPK1CYP11B1CYP11B2ALDH1A1
SCHEMBL21606708 0.84 HSD11B1 (0.77) HSD11B1MAPK1CYP11B1CYP11B2SIRT2
SCHEMBL23812236 0.83 HSD11B1 (0.59) HSD11B1CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL21606709 0.81 HSD11B1 (0.61) HSD11B1CYP11B1CYP11B2SIRT2SIRT1
SCHEMBL15874678 0.76 HSD11B1 (0.65) HSD11B1CYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL15875458 0.75 HSD11B1 (0.61) HSD11B1L3MBTL1SIRT2SIRT1CYP1A2
SCHEMBL4195851 0.74 HSD11B1 (0.61) HSD11B1MAPK1ALDH1A1SIRT2SIRT1
SCHEMBL21606775 0.74 HSD11B1 (0.56) HSD11B1CYP11B1CYP11B2ALDH1A1SIRT2
SCHEMBL304176 0.74 TDP1 (0.78) MAPK1L3MBTL1ALDH1A1TDP1LMNA
SCHEMBL21606782 0.72 HSD11B1 (0.60) HSD11B1CYP11B1CYP11B2ALDH1A1SIRT2

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 3808/4885MAPK1 632/4885L3MBTL1 298/4885

“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.