SCHEMBL7128854

SCHEMBL7128854

CCN(C)CC1CN(Sc2ccc(OCc3cccc(Cl)c3)cc2)C(C(=O)OC)[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MAOB P27338 7/20 0.39
MAOA P21397 4/20 0.39
GID4 Q8IVV7 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KDM1A O60341 1/20 0.38
FFAR1 O14842 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL7128850 1.00 ALOX5 (0.41) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL6239782 1.00 ALOX5 (0.41) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL6241067 0.88 S1PR1 (0.44) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL6234620 0.88 S1PR1 (0.44) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL6241350 0.85 S1PR1 (0.45) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL6238590 0.78 MMP1 (0.46) ALOX5S1PR1S1PR5MAOBMAOA
SCHEMBL7132752 0.77 ADAM17 (0.54)
SCHEMBL7133979 0.77 ADAM17 (0.54)
SCHEMBL6236695 0.77 ADAM17 (0.54)
SCHEMBL7132748 0.77 ADAM17 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 ALOX5 3125/4885S1PR1 2147/4885S1PR5 2007/4885

“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.