SCHEMBL5076503

SCHEMBL5076503

C[C@H](N[C@H](C)c1ccccc1)C(=O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
ACP3 P15309 2/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
TSHR P16473 1/20 0.45
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
CSF1R P07333 1/20 0.44
PRKACA P17612 1/20 0.44
FLT1 P17948 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 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
Hydrochloric Acid SCHEMBL22828973 0.98 LMNA (0.53) LMNAHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL22828969 0.90 ACP3 (0.53) LMNAHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5082435 0.90 ACP3 (0.53) LMNAHSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL22828987 0.88 ACP3 (0.56) LMNAHSD17B10ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL22828960 0.88 ACP3 (0.56) LMNAHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5082805 0.84 ACP3 (0.47) LMNAHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL5076496 0.81 MAOB (0.56) ALDH1A1NPC1
SCHEMBL5082282 0.81 MAOB (0.56) ALDH1A1NPC1
SCHEMBL5082538 0.81 MAOB (0.56) ALDH1A1NPC1
SCHEMBL2919150 0.80 ALDH1A1 (0.73) LMNAHSD17B10ALDH1A1KDM4EHPGD

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
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 EP 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-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C LMNA 1549/4885HSD17B10 94/4885ALDH1A1 93/4885

“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.