SCHEMBL23310347

SCHEMBL23310347

CCCCCCCCN(CCCCCCCC)c1cc(OC)c(C(C#N)c2c(OC)cc(N(CCCCCCCC)CCCCCCCC)cc2OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.46
SLC16A1 P53985 2/20 0.46
HTR2A P28223 1/20 0.36
ALOX5 P09917 7/20 0.35
PTGS2 P35354 3/20 0.35

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
SCHEMBL23310389 0.87 SLC16A3 (0.44) SLC16A3SLC16A1ALOX5PTGS2
SCHEMBL23310348 0.81 SLC16A3 (0.34) SLC16A3SLC16A1
SCHEMBL21614137 0.76 SLC16A3 (0.43) SLC16A3SLC16A1HTR2AALOX5PTGS2
SCHEMBL23273055 0.76 SLC16A3 (0.43) SLC16A3SLC16A1HTR2AALOX5PTGS2
SCHEMBL29141151 0.75 SLC16A3 (0.45) SLC16A3SLC16A1HTR2AALOX5PTGS2
SCHEMBL29141150 0.75 SLC16A3 (0.45) SLC16A3SLC16A1HTR2AALOX5PTGS2
SCHEMBL21614155 0.75 SLC16A3 (0.39) SLC16A3SLC16A1ALOX5PTGS2
SCHEMBL21611345 0.74 PLA2G2A (0.46) SLC16A3SLC16A1PTGS2
SCHEMBL21611346 0.74 PLA2G2A (0.46) SLC16A3SLC16A1PTGS2
SCHEMBL20338973 0.74 ATM (0.36)

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-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials UNIVERSITÉ PARIS CITÉ (FR) 2021-04-29 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-20210122742-A1 Amphiphilic and Mesogenic Organic Dyes for Tailor-Made Reflective Low-Dimensional Materials MITF, LRAT, APOL1 SLC16A3 611/4885SLC16A1 778/4885HTR2A 2606/4885

“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.