SCHEMBL2705602

SCHEMBL2705602

CC(C)c1ccc2c(c1)OCc1[nH]c(C(C)C)nc1-2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KLK7 P49862 1/20 0.32
CTRC Q99895 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
ESRRB O95718 1/20 0.30
ESRRA P11474 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
SCHEMBL2756725 0.86 LMNA (0.36) LMNATP53MAPTSMN1; SMN2KLK7
SCHEMBL10118794 0.78 KDM4E (0.33) KDM4ELMNATP53MAPTSMN1; SMN2
SCHEMBL2706235 0.75 KDM4E (0.35) KDM4ELMNASCN10AHSD17B10
SCHEMBL9980107 0.74 SCN10A (0.36) LMNAMAPTSCN10APIK3CDPIK3CA
SCHEMBL15042882 0.73 LMNA (0.35) LMNATP53MAPTSMN1; SMN2LTB4R
SCHEMBL10118799 0.71 KLK7 (0.35) KDM4ELMNATP53MAPTSMN1; SMN2
SCHEMBL15429846 0.71 KDM4E (0.32) KDM4E
SCHEMBL12328338 0.70 LMNA (0.36) LMNATP53MAPTSMN1; SMN2KLK7
SCHEMBL25450212 0.69 LMNA (0.32) LMNAKLK7CTRCPIK3CDPIK3CA
SCHEMBL14985623 0.69 MMP12 (0.36) KDM4ELMNATP53MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (5 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885TP53 700/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885TP53 700/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 KDM4E 1173/4885LMNA 2809/4885TP53 1227/4885
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1173/4885LMNA 2809/4885TP53 1227/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885TP53 700/4885

“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.