SCHEMBL15713803

SCHEMBL15713803

Cc1cc(C)c(-[n+]2ccn(CCO)c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ PON1 P27169 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ HTR7 P34969 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL20516566 0.90 PON1 (0.34) PON1HTT
Bromide SCHEMBL1658462 0.89 PON1 (0.35) XDHALDH1A1PON1HTT
SCHEMBL23698469 0.85 PON1 (0.38) PON1HTT
Bromide SCHEMBL1889460 0.83 PON1 (0.37) PON1HTT
SCHEMBL13610231 0.82 PON1 (0.33) PON1
SCHEMBL23698451 0.82 PON1 (0.46) PON1HTT
Bromide SCHEMBL4414529 0.81 PON1 (0.33) PON1
SCHEMBL23698419 0.81 PON1 (0.33) PON1
Iodide SCHEMBL4411984 0.81 PON1 (0.33) PON1
Bromide SCHEMBL1882253 0.81 PON1 (0.46) PON1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917212-B1 ANTIMICROBIAL AGENTS UNIV RUTGERS (US) 2019-06-12 — — EP disclosed
US-20180179225-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-28 — — US disclosed
WO-2014074932-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-15 — — WO disclosed
US-20130196945-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 — — 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 (2 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-20130196945-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, DSC1, SI XDH 3684/4885ALDH1A1 3595/4885PON1 3730/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 XDH 366/4885ALDH1A1 1945/4885PON1 2569/4885

“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.

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