SCHEMBL2457110

SCHEMBL2457110

COc1cc(C=C(NC(C)=O)C(=O)O)ccc1OC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
MAPT P10636 1/20 0.65
JUN P05412 1/20 0.59
NFKB1 P19838 1/20 0.59
KMT2A Q03164 2/20 0.53
VCP P55072 1/20 0.51
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MCL1 Q07820 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL10747248 1.00 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL2457107 1.00 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL30958855 1.00 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL11289654 0.95 ALDH1A1 (0.65) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL2457625 0.93 ALDH1A1 (0.62) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL2457630 0.93 ALDH1A1 (0.62) ALDH1A1MAPTJUNNFKB1KMT2A
SCHEMBL6449146 0.92 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL10466948 0.92 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL6449141 0.92 ALDH1A1 (0.60) ALDH1A1MAPTKMT2ARAB9AGAA
SCHEMBL11938178 0.90 ALDH1A1 (0.72) ALDH1A1MAPTJUNNFKB1KMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4005127-A L-Dopa process and intermediates MONSANTO COMPANY (US) 1977-01-25 US claimed
EP-2514739-B1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof UNIV NORTHWEST (CN) 2016-12-21 EP disclosed
EP-2514739-A1 Substituted beta-phenyl-alpha-hydroxy propanoic acid, synthesis method and use thereof Northwest University (CN) 2012-10-24 EP disclosed
US-8017786-B2 Substituted β-phenyl-α-hydroxy-propanoic acid, synthesis method and use thereof NORTHWEST UNIVERSITY (CN) 2011-09-13 US disclosed
US-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF NORTHWEST UNIVERSITY (CN) 2009-05-21 US disclosed
EP-2019090-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF Northwest University (CN) 2009-01-28 EP disclosed
EP-0257920-B1 PROCESS FOR L-DOPA MERCK & CO. INC. (US) 1990-10-31 EP disclosed
EP-0257920-A1 Process for L-dopa MERCK & CO. INC. (US) 1988-03-02 EP disclosed
US-4716246-A Process for L-dopa MERCK & CO., INC. (US) 1987-12-29 US disclosed
EP-0104375-B1 PHOSPHORUS-CONTAINING BIPHENYL DERIVATIVES AND THEIR USE IN ASYMMETRIC HYDROGENATION AND ENATIOSELECTIVE HYDROGEN SHIFTS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-10-15 EP disclosed
US-4294989-A OPTICALLY ACTIVE HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1981-10-13 US disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4220590-A OPTICALLY ACTIVE BIS PHOSPHINE COMPOUNDS MONSANTO COMPANY (US) 1980-09-02 US disclosed
US-4142992-A ASYMMETRIC CATALYSIS MONSANTO COMPANY (US) 1979-03-06 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed
US-4038414-A ANTIARRHYTHMIA AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-26 US disclosed
US-4014920-A N-cinnamylcarbamic acid esters CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4008281-A BIS-PHOSPHINE MONSANTO COMPANY (US) 1977-02-15 US disclosed
US-4005127-A L-Dopa process and intermediates MONSANTO COMPANY (US) 1977-01-25 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 (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-20090131677-A1 SUBSTITUTED BETA-PHENYL-ALPHA-HYDROXY-PROPANOIC ACID, SYNTHESIS METHOD AND USE THEREOF P4HA1, HAO1, PCCA ALDH1A1 353/4885MAPT 3739/4885JUN 1825/4885

“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.