SCHEMBL1830650

SCHEMBL1830650

COC1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 4/20 0.52
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.49
BACE1 P56817 8/20 0.46
APP P05067 1/20 0.46
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PBRM1 Q86U86 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2375924 0.86 ATM (0.55) ATMKDM4EHTTKMT2ACA1
SCHEMBL1979356 0.84 KDM4E (0.59) ATMKDM4EHTTKMT2ACA1
SCHEMBL1829614 0.83 ATM (0.52) ATMKDM4EHTTKMT2ACA1
SCHEMBL2377505 0.82 ATM (0.76) ATMKDM4EHTTKMT2ACA1
SCHEMBL9958475 0.82 BACE1 (0.49) BACE1APP
SCHEMBL1829468 0.81 KDM4E (0.68) ATMKDM4EHTTKMT2ACA1
SCHEMBL619674 0.81 KDM4E (0.64) ATMKDM4EHTTKMT2ACA1
SCHEMBL1828698 0.81 ATM (0.61) ATMKDM4EHTTKMT2ACA1
SCHEMBL7952708 0.81 SIGMAR1 (0.57) ATMKDM4EHTTKMT2ACA1
SCHEMBL1821870 0.80 KDM4E (0.69) ATMKDM4EHTTKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8921359-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
EP-2324032-B1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS INC (US) 2014-10-01 EP disclosed
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2013-11-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450308-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
US-20110218192-A1 Inhibitors Of Beta-Secretase VITAE PHARMACEUTICALS, INC. (US) 2011-09-08 US disclosed
EP-2324032-A2 INHIBITORS OF BETA-SECRETASE Vitae Pharmaceuticals, Inc. (US) 2011-05-25 EP disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 WO disclosed
WO-2010021680-A2 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. (US) 2010-02-25 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-20110218192-A1 Inhibitors Of Beta-Secretase BACE1, BACE2, APP ATM 4610/4885KDM4E 3004/4885HTT 808/4885
US-20130317014-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, APP ATM 4610/4885KDM4E 3004/4885HTT 808/4885

“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.