SCHEMBL21742226

SCHEMBL21742226

CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ TSHR P16473 4/20 0.55
▸ HPGD P15428 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ FNIP1 Q8TF40 1/20 0.46
▸ FEM1B Q9UK73 1/20 0.46

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
SCHEMBL20456266 0.87 ALDH1A1 (0.66) PTGDR2ALDH1A1TSHRHPGDGAA
SCHEMBL20463355 0.86 ALDH1A1 (0.52) PTGDR2ALDH1A1TSHRHPGDGAA
SCHEMBL21392964 0.80 NPC1 (0.62) ALDH1A1TSHRHPGDLMNAHTT
SCHEMBL1078031 0.77 PTGDR2 (0.60) PTGDR2ALDH1A1GAAHTTNPC1
SCHEMBL5804310 0.77 ALDH1A1 (0.69) PTGDR2ALDH1A1TSHRHTTNPC1
SCHEMBL9444664 0.77 PTGDR2 (0.52) PTGDR2ALDH1A1HTTNPC1RAB9A
SCHEMBL31104078 0.77 FNIP1 (0.58) PTGDR2ALDH1A1TSHRHPGDGAA
SCHEMBL23126358 0.76 MAOB (0.55) PTGDR2ALDH1A1TSHRHPGDGAA
SCHEMBL25455175 0.75 KMT2A (0.60) PTGDR2ALDH1A1HPGDGAALMNA
SCHEMBL23817970 0.75 GPX4 (0.54) PTGDR2ALDH1A1HPGDLMNAHTT

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-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 — — 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-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A PPP2R1A, PPP3CA, PPP2R2A PTGDR2 1253/4885ALDH1A1 2930/4885TSHR 1652/4885

“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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