SCHEMBL2838540

SCHEMBL2838540

C[C@@H](CCC=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
TAAR1 Q96RJ0 3/20 0.48
TRPA1 O75762 4/20 0.44
AOC3 Q16853 2/20 0.44

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
SCHEMBL752037 1.00 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3
SCHEMBL1824156 0.88 RIPK1 (0.48) RIPK1TAAR1TRPA1AOC3
SCHEMBL9764565 0.85 RIPK1 (0.46) RIPK1TAAR1TRPA1AOC3
SCHEMBL29026695 0.83 TYR (0.48) RIPK1
SCHEMBL11340864 0.82 STAT3 (0.46) RIPK1
SCHEMBL28045674 0.82 STAT3 (0.46) RIPK1
SCHEMBL28039437 0.82 STAT3 (0.46) RIPK1
SCHEMBL28336920 0.81 HDAC4 (0.41) RIPK1
SCHEMBL4578844 0.81 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3
SCHEMBL7235718 0.80 HRH1 (0.50) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 RIPK1 1542/4885TAAR1 2410/4885TRPA1 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.