SCHEMBL10034802

SCHEMBL10034802

CC(=O)c1ccc2cc1OCCOCCOCCOCCOCCOc1cc-2ccc1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ HSD17B10 Q99714 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL881625 0.84 KDM4E (0.61) KDM4ESMN1; SMN2GAAMAPTHSD17B10
SCHEMBL881598 0.79 KDM4E (0.40) KDM4ESMN1; SMN2GAAMAPTHSD17B10
SCHEMBL10067201 0.73 ALOX5 (0.37) KDM4ESMN1; SMN2GAAMAPTHSD17B10
SCHEMBL363189 0.72 KDM4E (0.61) KDM4ESMN1; SMN2GAAMAPTHSD17B10
SCHEMBL10034796 0.72 POLB (0.35) KDM4ESMN1; SMN2GAAMAPTPOLB
SCHEMBL14161498 0.70 MAOB (0.40) KDM4ESMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL10031401 0.70 KDM4E (1.00) KDM4ESMN1; SMN2GAAMAPTPOLB
SCHEMBL14937523 0.70 KDM4E (1.00) KDM4ESMN1; SMN2GAAMAPTPOLB
SCHEMBL14849222 0.70 KDM4E (1.00) KDM4ESMN1; SMN2GAAMAPTPOLB
SCHEMBL14161554 0.69 MEN1 (0.49) KDM4ESMN1; SMN2MAPTHSD17B10ALDH1A1

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-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
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 3798/4885SMN1; SMN2 4374/4885GAA 973/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885SMN1; SMN2 4374/4885GAA 973/4885

“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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