SCHEMBL7600531

SCHEMBL7600531

Ic1c[nH]c(C2CCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.41
CDK2 P24941 3/20 0.41
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSPO P30536 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL4629678 0.91
SCHEMBL15804625 0.75 KDM4E (0.38) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL15724298 0.75 NPC1 (0.40) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL5302092 0.75 KDM4E (0.42) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL27736894 0.75 KDM4E (0.38) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL728552 0.73 NPC1 (0.42) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL27757639 0.73 KDM4E (0.41) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL11127892 0.73 KDM4E (0.41) CCNE1CDK2KDM4EALDH1A1HPGD
SCHEMBL1813463 0.73 SCN10A (0.38)
SCHEMBL1813465 0.73 SCN10A (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CCNE1 3051/4885CDK2 667/4885KDM4E 4063/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CCNE1 2930/4885CDK2 584/4885KDM4E 4113/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CCNE1 2930/4885CDK2 584/4885KDM4E 4113/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CCNE1 2930/4885CDK2 584/4885KDM4E 4113/4885

“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.