SCHEMBL21189148

SCHEMBL21189148

COP(=O)(CC[C@@H](N)C(=O)OCc1ccccc1)Oc1cccc(CC(=O)OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 2/20 0.41
SLC7A5 Q01650 1/20 0.40
ELANE P08246 2/20 0.37
PRTN3 P24158 2/20 0.37
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTN3A1 O00481 1/20 0.36
EPOR P19235 1/20 0.36
SLC15A1 P46059 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC1A5 Q15758 1/20 0.35

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
SCHEMBL21189149 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1LTA4HSLC7A5
SCHEMBL21189273 1.00 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1LTA4HSLC7A5
SCHEMBL57869 0.85 KYNU (0.46) ALDH1A1ELANEPRTN3
SCHEMBL21189146 0.85 KYNU (0.46) ALDH1A1ELANEPRTN3
SCHEMBL21189177 0.85 KYNU (0.46) ALDH1A1ELANEPRTN3
SCHEMBL21189144 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LTA4HKMT2A
SCHEMBL21189194 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LTA4HKMT2A
SCHEMBL57868 0.82 L3MBTL1 (0.37) ALDH1A1MAPK1L3MBTL1ELANEPRTN3
SCHEMBL21189140 0.81 SLC7A5 (0.44) SLC7A5BTN3A1SLC1A5
SCHEMBL21189139 0.81 SLC7A5 (0.44) SLC7A5BTN3A1SLC1A5

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-10774098-B2 Nahlsgen optical resolution method KYOTO UNIVERSITY (JP) 2020-09-15 US disclosed
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD KYOTO UNIVERSITY (JP) 2019-07-25 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 (2 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-10774098-B2 Nahlsgen optical resolution method HACL2, HAO2, HPD ALDH1A1 150/4885MAPK1 486/4885L3MBTL1 1313/4885
US-20190225634-A1 NAHLSGEN OPTICAL RESOLUTION METHOD HACL2, HAO2, HPD ALDH1A1 150/4885MAPK1 486/4885L3MBTL1 1313/4885

“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.