SCHEMBL881325

SCHEMBL881325

CC(=O)c1ccc2c(c1)OCCOCCOCCOc1cc(C(C)=O)ccc1-2

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.78
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42

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
SCHEMBL10031401 0.88 KDM4E (1.00) KDM4EMAPTLMNAKMT2ANPSR1
SCHEMBL14937523 0.88 KDM4E (1.00) KDM4EMAPTLMNAKMT2ANPSR1
SCHEMBL14849222 0.88 KDM4E (1.00) KDM4EMAPTLMNAKMT2ANPSR1
SCHEMBL15188497 0.88 KDM4E (0.60) KDM4EMAPTLMNAKMT2ARAB9A
SCHEMBL16343224 0.88 KDM4E (0.60) KDM4EMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL881625 0.84 KDM4E (0.61) KDM4EMAPTLMNAKMT2ANPSR1
SCHEMBL16369468 0.84 KDM4E (0.54) KDM4EMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL102971 0.82 KDM4E (0.89) KDM4EMAPTLMNAKMT2ANPSR1
SCHEMBL32670198 0.80 MAOB (0.61) KDM4EMAPTNPSR1RAB9ASMN1; SMN2
SCHEMBL881345 0.79 KDM4E (0.50) KDM4EMAPTNPSR1RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 — — US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
US-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
WO-2012040389-A2 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-03-29 — — WO disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 — — US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 — — US disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 — — 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 (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-20130178507-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885MAPT 3596/4885LMNA 3390/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885MAPT 3596/4885LMNA 3390/4885

“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.

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