SCHEMBL13044935

SCHEMBL13044935

CN[C@H]1CCCCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 3/20 0.48
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.39
CA6 P23280 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
CCR2 P41597 1/20 0.33
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL12309751 1.00 KMT2A (0.52) KMT2ACA1CA2CA4CA12
SCHEMBL18239349 0.98
SCHEMBL23595739 0.98
SCHEMBL10698474 0.98
Hydrochloric Acid SCHEMBL10965326 0.95 CA1 (0.48) KMT2ACA1CA2CA4CA12
Benzene SCHEMBL29051407 0.91 CA1 (0.45) KMT2ACA1CA2CA4CA12
SCHEMBL19695675 0.91
Chlorobenzene SCHEMBL28579335 0.80 MAPT (0.47) CA1CA2CA12CA9KDM4E
Fluorobenzene SCHEMBL28699414 0.80 MCL1 (0.41) CA1CA2CA4CA12CA9
SCHEMBL28518742 0.76 ALDH1A1 (0.46) KMT2ACA1CA2CA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US disclosed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US disclosed
US-7691845-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-04-06 US 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-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 KMT2A 4579/4885CA1 1161/4885CA2 553/4885

“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.