SCHEMBL6714749

SCHEMBL6714749

COc1cc(C[C@](C)(N)C(=O)O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
CYP3A4 P08684 3/20 0.70
GAA P10253 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
BLM P54132 2/20 0.70
CYP1A2 P05177 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
USP2 O75604 1/20 0.70
EGFR P00533 1/20 0.70
FYN P06241 1/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
APEX1 P27695 1/20 0.70
ADRA1A P35348 1/20 0.70
PTGS2 P35354 1/20 0.70
MTOR P42345 1/20 0.70
RECQL P46063 1/20 0.70

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
SCHEMBL9819512 1.00 ALDH1A1 (0.70) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL6340551 0.88 GAA (0.70) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL6337564 0.88 GAA (0.70) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL6339568 0.88 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL29658681 0.88 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL24534351 0.88 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL6339567 0.88 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL29658682 0.88 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
SCHEMBL7386597 0.87 ALDH1A1 (0.60) ALDH1A1CYP3A4GAATDP1BLM
Hydrochloric Acid SCHEMBL30149960 0.87 ALDH1A1 (0.59) ALDH1A1CYP3A4GAATDP1BLM

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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-4740615-A LOW PRESSURE TEMPERATURE GRADIENT CHROMATOGRAPHY MERCK & CO., INC. (US) 1988-04-26 US claimed
WO-2023178183-A1 COMBINATORIAL ACTIVATION OF GABA(B) AND ALPHA-2 ADRENERGIC RECEPTORS FOR TREATMENT OF STRESS INDUCED DEPRESSION UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-09-21 WO disclosed
US-11052060-B2 Compounds and methods for treating autoimmunity THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-07-06 US disclosed
US-20190262301-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNITY IMMUNOMOLECULAR THERAPEUTICS, INC. 2019-08-29 US disclosed
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
EP-0266117-A1 Process for purified amino acids MERCK & CO. INC. (US) 1988-05-04 EP disclosed
US-4740615-A LOW PRESSURE TEMPERATURE GRADIENT CHROMATOGRAPHY MERCK & CO., INC. (US) 1988-04-26 US disclosed
US-4393242-A Process for preparing methylvanillyl ketone from isoeugenol MERCK & CO., INC. (US) 1983-07-12 US disclosed
US-4337360-A EPOXIDATION OF PROTECTED ISOEUGENOL FOLLOWED BY ACID HYDROLYSIS MERCK & CO., INC. (US) 1982-06-29 US disclosed
US-4273943-A OXIDATION OF ISOEUGENOL WITH ACID HYDROLYSIS MERCK & CO., INC. (US) 1981-06-16 US disclosed
US-4230893-A 1,1-Di(4-hydroxy-3-methoxyphenyl)-2-alkoxypropane MERCK & CO., INC. (US) 1980-10-28 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 (4 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-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH ALDH1A1 100/4885CYP3A4 1387/4885GAA 171/4885
US-20190262301-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNITY HLA-DRB1, CD74, MICA ALDH1A1 4242/4885CYP3A4 4783/4885GAA 78/4885
US-11052060-B2 Compounds and methods for treating autoimmunity HLA-DRB1, CD74, MICA ALDH1A1 4242/4885CYP3A4 4783/4885GAA 78/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ALDH1A1 114/4885CYP3A4 2033/4885GAA 111/4885

“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.