SCHEMBL10034776

SCHEMBL10034776

COCCOc1cc(C(C)=O)ccc1-c1ccc(C(C)=O)cc1OCCOC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAOB P27338 2/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL5050751 0.88 KMT2A (0.55) KMT2AMAOBCREBBPKDM4EHTT
SCHEMBL881352 0.87 ALDH1A1 (0.52) KDM4EHTTMAPTRAB9AGAA
SCHEMBL4775181 0.85 KMT2A (0.56) KMT2AMAOBMEN1ALDH1A1
SCHEMBL6096092 0.85 KMT2A (0.63) KMT2AMAOBMEN1ALDH1A1HPGD
SCHEMBL10034779 0.84 SLC6A4 (0.45) KMT2AMAOBCREBBPKDM4EHTT
SCHEMBL881510 0.84 MAPT (0.49) KMT2AKDM4EHTTMAPTL3MBTL1
SCHEMBL10034785 0.83 GSK3B (0.46) KMT2AKDM4EHTTMEN1ALDH1A1
SCHEMBL10034784 0.83 KDM4E (0.41) KMT2AKDM4EHTTMEN1ALDH1A1
SCHEMBL20463365 0.81 HTT (0.49) KMT2AMAOBCREBBPKDM4EHTT
SCHEMBL1505079 0.80 AKR1C3 (0.52) CREBBP

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 KMT2A 3912/4885MAOB 1627/4885CREBBP 705/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 KMT2A 3912/4885MAOB 1627/4885CREBBP 705/4885

“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.