SCHEMBL881345

SCHEMBL881345

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ ATM Q13315 1/20 0.50
▸ GSK3B P49841 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALDH3A1 P30838 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CTNNB1 P35222 8/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ WNT3A P56704 5/20 0.46

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
SCHEMBL15188473 0.89 ALDH1A1 (0.50) KDM4EATMGSK3BMAPTALDH1A1
SCHEMBL15188478 0.89 ALDH1A1 (0.54) KDM4EATMGSK3BMAPTALDH1A1
SCHEMBL881622 0.86 KDM4E (0.41) KDM4EATMGSK3BMAPTALDH1A1
SCHEMBL627847 0.83 ATM (0.70) KDM4EATMMAPTALDH1A1TP53
SCHEMBL15188476 0.80 PTPN1 (0.49) GSK3B
SCHEMBL15188490 0.79 PTPN1 (0.41) ATMGSK3BHPGDPKMTSHR
SCHEMBL16343663 0.79 PTGS1 (0.41) ATMGSK3BHPGDPKMTSHR
SCHEMBL881325 0.79 KDM4E (0.78) KDM4EATMMAPTL3MBTL1HPGD
SCHEMBL2985748 0.78 ALDH1A1 (0.68) KDM4EATMMAPTALDH1A1TP53
SCHEMBL1183664 0.76 ATM (0.47) KDM4EATMGSK3BMAPTALDH1A1

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 3798/4885ATM 3633/4885GSK3B 558/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KDM4E 3798/4885ATM 3633/4885GSK3B 558/4885

“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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