SCHEMBL5033932

SCHEMBL5033932

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nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL5033931 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19
SCHEMBL2020872 0.75 TSHR (0.35) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6555695 0.75 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19
SCHEMBL28011339 0.73 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRCYP2D6CYP2C19
SCHEMBL9369144 0.73 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL18680877 0.70 CES1 (0.31)
SCHEMBL6008936 0.70 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHR
SCHEMBL12308958 0.69 CA1 (0.32) TSHR
SCHEMBL9947157 0.69 CA1 (0.32) TSHR
Trifluoroacetic Acid SCHEMBL16569295 0.68 NOS1 (0.33) ALDH1A1L3MBTL1

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-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity 7TM PHARMA A/S (DK) 2008-12-18 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-20080312220-A1 Oxadiazole Derivatives with Crth2 Receptor Activity HRH2, HRH1, HRH3 ALDH1A1 1905/4885L3MBTL1 4155/4885TSHR 80/4885

“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.