SCHEMBL10141772

SCHEMBL10141772

Cc1ccc2c(c1)OCc1nc(C(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 4/20 0.33
MMP12 P39900 1/20 0.33
TERT O14746 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
MAOB P27338 3/20 0.30
PGR P06401 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15443664 0.88 KDM4E (0.37) KDM4EHSD17B10LMNAPIK3CAPIK3CB
SCHEMBL10147390 0.87 MAOB (0.34) CYP19A1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL10118794 0.86 KDM4E (0.33) KDM4EHSD17B10LMNAMAPT
SCHEMBL21142776 0.85 TRPV1 (0.36) KDM4EHSD17B10LMNAPIK3CAPIK3CB
SCHEMBL2756729 0.83 MMP12 (0.36) CYP19A1KDM4EMMP12TERTMAPT
SCHEMBL15443662 0.79 KDM4E (0.32) KDM4EPIK3CA
SCHEMBL10141065 0.78 TGFBR1 (0.37) CYP19A1KDM4EMMP12TERTHSD17B10
SCHEMBL10147704 0.78 MMP12 (0.33) CYP19A1KDM4EMMP12TERTHSD17B10
SCHEMBL15443735 0.78 PIK3CA (0.33) KDM4EPIK3CAPIK3CBPIK3CG
SCHEMBL13561501 0.76 KDM4E (0.44) KDM4ECYP1A2HSD17B10LMNAALDH1A1

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 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 (2 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP19A1 1135/4885KDM4E 1193/4885MMP12 1729/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 CYP19A1 1616/4885KDM4E 1318/4885MMP12 3344/4885

“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.