SCHEMBL12799422

SCHEMBL12799422

COc1ccc(C(O)CC(O)c2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CASR P41180 1/20 0.42
▸ ADRB2 P07550 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL1428480 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10880591 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL28567078 0.76 CA1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL11151390 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NFKB1LMNAMAPT
SCHEMBL28709318 0.71 NFKB1 (0.60) ALDH1A1SMN1; SMN2NFKB1LMNAMAPT
SCHEMBL29397450 0.71 NFKB1 (0.60) ALDH1A1SMN1; SMN2NFKB1LMNAMAPT
SCHEMBL16046343 0.71 TSHR (0.61) ALDH1A1SMN1; SMN2LMNAKDM4ETSHR
SCHEMBL3830875 0.70 MAPT (0.55) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL2423873 0.70 SIGMAR1 (0.51) ALDH1A1LMNAMAPTKMT2ACASR
SCHEMBL17392189 0.70 KMT2A (0.60) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 — — US disclosed
US-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 — — US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 — — US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 — — 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 (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-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 ALDH1A1 408/4885SMN1; SMN2 1726/4885NFKB1 979/4885

“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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