SCHEMBL5453409

SCHEMBL5453409

CC1([C]2c3ccccc32)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL11804925 0.75 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL2387990 0.73 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL19382448 0.73 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL5600126 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5601871 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5601891 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5602056 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5601795 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5602036 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12
SCHEMBL5601054 0.70 KDM4E (0.33) ALDH1A1KDM4ERXFP1LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG ALDH1A1 1055/4885KDM4E 2403/4885RXFP1 4602/4885

“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.