SCHEMBL17497683

SCHEMBL17497683

C=CC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
IL6ST P40189 1/20 0.40
NAAA Q02083 1/20 0.39
IDH1 O75874 8/20 0.36
FAAH O00519 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
AGTR2 P50052 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL9007611 1.00 PPARA (0.44) PPARAIL6STNAAAIDH1FAAH
SCHEMBL19899197 1.00 PPARA (0.44) PPARAIL6STNAAAIDH1FAAH
SCHEMBL19899230 1.00 PPARA (0.44) PPARAIL6STNAAAIDH1FAAH
SCHEMBL9007609 1.00 PPARA (0.44) PPARAIL6STNAAAIDH1FAAH
SCHEMBL19899198 1.00 PPARA (0.44) PPARAIL6STNAAAIDH1FAAH
SCHEMBL2273418 0.91 PPARA (0.42) PPARAIL6STNAAAIDH1FAAH
SCHEMBL7050316 0.91 PPARA (0.42) PPARAIL6STNAAAIDH1FAAH
SCHEMBL5966517 0.91 FAAH (0.42) PPARANAAAFAAH
SCHEMBL5966519 0.91 FAAH (0.42) PPARANAAAFAAH
SCHEMBL12418053 0.90 PPARA (0.42) PPARAIL6STNAAAIDH1FAAH

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-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO PPARA 2450/4885IL6ST 643/4885NAAA 4220/4885

“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.