SCHEMBL6445581

SCHEMBL6445581

CCCCN(C)CC([O])=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.43
KDM5A P29375 6/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4A O75164 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
GGPS1 O95749 4/20 0.37
FDPS P14324 1/20 0.36

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
SCHEMBL868479 0.81 KDM4C (0.52) KDM4CKDM5ACA12CA1CA9
SCHEMBL7082287 0.81 KDM4C (0.43) KDM4CKDM5ACA12CA1CA9
SCHEMBL8337243 0.79 ALDH1A1 (0.54) KDM4CKDM5ACA12CA1CA9
SCHEMBL8415760 0.79 KDM4C (0.42) KDM4CKDM5ACA12CA1CA9
SCHEMBL31198188 0.79 KDM4C (0.50) KDM4CKDM5ACA12CA1CA9
SCHEMBL10655777 0.75 S1PR2 (0.42) KDM4CKDM5ACA12CA1CA9
Acetic Acid SCHEMBL3416510 0.75 KDM4C (0.55) KDM4CKDM5ACA12CA1CA9
SCHEMBL7783595 0.75 CA12 (0.50) CA12CA9ALDH1A1
SCHEMBL168312 0.74 KDM4C (0.53) KDM4CKDM5AKDM4APHF8S1PR2
SCHEMBL14064830 0.74 GGPS1 (0.47) KDM4CKDM5AKDM4APHF8S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 KDM4C 2984/4885KDM5A 2389/4885CA12 613/4885

“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.