SCHEMBL24534352

SCHEMBL24534352

COc1ccc(C[C@@](C)(N)C#N)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CYP19A1 P11511 1/20 0.50
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 2/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AOC3 Q16853 1/20 0.44
TSHR P16473 3/20 0.43
MAPK10 P53779 1/20 0.43
CYP3A4 P08684 6/20 0.43
ABCB1 P08183 4/20 0.43
CYP3A5 P20815 1/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1648005 1.00 CA2 (0.50) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL27873824 1.00 CA2 (0.50) CA2CYP19A1ATMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27962953 0.98 CYP19A1 (0.49) CA2CYP19A1ATMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5035634 0.98 CYP19A1 (0.49) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL9162474 0.86 TAAR1 (0.54) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL16974124 0.83 CA2 (0.53) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL25846300 0.83 ALDH1A1 (0.45) CYP19A1KDM4EALDH1A1PPARGPPARD
SCHEMBL11258047 0.81 CA2 (0.59) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL31432907 0.81 CYP19A1 (0.50) CA2CYP19A1ATMKDM4EALDH1A1
SCHEMBL31149052 0.81 CYP19A1 (0.50) CA2CYP19A1ATMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702383-B2 Methods for producing D-α-methyldopa IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-20220194893-A1 Methods for Producing D-alpha-Methyldopa IMMUNOMOLECULAR THERAPEUTICS, INC. 2022-06-23 US disclosed
CN-104628600-B A kind of preparation method of (S)-methyldopa midbody compound 上海医药工业研究院 2016-08-24 CN disclosed
CN-104628600-A Preparation method for (S)-methyldopa intermediate compound SHANGHAI INST PHARM INDUSTRY 2015-05-20 CN 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-11702383-B2 Methods for producing D-α-methyldopa AMPD2, AMPD3, AMPD1 CA2 4308/4885CYP19A1 141/4885ATM 3023/4885
US-20220194893-A1 Methods for Producing D-alpha-Methyldopa DBH, AMPD2, DRD2 CA2 3975/4885CYP19A1 148/4885ATM 3620/4885

“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.