SCHEMBL11980707

SCHEMBL11980707

C=C[C@@H](CO)O[C@H](C)n1ccc(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.36
▸ CRBN Q96SW2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DUT P33316 7/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SLC28A1 O00337 1/20 0.30
▸ SLC28A2 O43868 1/20 0.30
▸ SLC29A1 Q99808 1/20 0.30
▸ SLC28A3 Q9HAS3 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
SCHEMBL20998270 0.78 POLB (0.42) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL20883489 0.78 POLB (0.41) POLBHSD17B10PKMDUT
SCHEMBL11981174 0.78 TYMP (0.40) POLBALDH1A1LMNA
SCHEMBL22475076 0.77 POLB (0.46) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL14146450 0.77 POLB (0.41) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL18616999 0.77 POLB (0.46) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL20249093 0.77 POLB (0.41) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL14546374 0.77 POLB (0.41) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL12174024 0.77 POLB (0.46) POLBHSD17B10PKMCRBNALDH1A1
SCHEMBL13846328 0.76 POLB (0.41) POLBHSD17B10PKMCRBNALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 — — US disclosed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 — — 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-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED TST, STS, MSR1 POLB 1438/4885HSD17B10 1437/4885PKM 3572/4885

“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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