SCHEMBL7082287

SCHEMBL7082287

CCCCN(C)CC(C)=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
GGPS1 O95749 4/20 0.40
FDPS P14324 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRM1 P35372 1/20 0.40
PDE3A Q14432 1/20 0.40
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

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
SCHEMBL14064830 0.93 GGPS1 (0.47) KDM4CKDM5AKDM4APHF8GGPS1
SCHEMBL7081091 0.85
SCHEMBL21938818 0.84 CES2 (0.44) GGPS1FDPSAGTR1OPRM1PDE3A
SCHEMBL8415760 0.84 KDM4C (0.42) KDM4CKDM5ACA12CA1CA9
SCHEMBL14216628 0.81 PAOX (0.34)
SCHEMBL868479 0.81 KDM4C (0.52) KDM4CKDM5ACA12CA1CA9
SCHEMBL6445581 0.81 KDM4C (0.43) KDM4CKDM5ACA12CA1CA9
Acetic Acid SCHEMBL3416510 0.80 KDM4C (0.55) KDM4CKDM5ACA12CA1CA9
SCHEMBL10655777 0.80 S1PR2 (0.42) KDM4CKDM5ACA12CA1CA9
SCHEMBL8337243 0.79 ALDH1A1 (0.54) KDM4CKDM5ACA12CA1CA9

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
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20030118520-A1 Cleaning composition for dental prostheses CLARIANT GMBH (DE) 2003-06-26 US disclosed
US-20020122775-A1 Cleaning compostion for dental prostheses CLARIANT GMBH 2002-09-05 US disclosed
EP-1203576-A1 Denture cleaning composition Clariant GmbH (DE) 2002-05-08 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 (4 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-20030118520-A1 Cleaning composition for dental prostheses NOXO1, AOX1, AOC1 KDM4C 960/4885KDM5A 726/4885CA12 962/4885
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP KDM4C 4440/4885KDM5A 4415/4885CA12 227/4885
US-20020122775-A1 Cleaning compostion for dental prostheses NOXO1, AOX1, AOC1 KDM4C 1212/4885KDM5A 849/4885CA12 821/4885
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP KDM4C 4440/4885KDM5A 4415/4885CA12 227/4885

“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.