SCHEMBL686740

SCHEMBL686740

O=C(O)CC(CC(=O)O)(OP(=O)(O)O)C(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
MVD P53602 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ACLY P53396 2/20 0.30

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
SCHEMBL28036003 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL10437619 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL6695579 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL17559293 1.00 ALDH1A1 (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL16061866 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL15510736 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL15092995 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL12004445 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
Water SCHEMBL12004446 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL27524295 0.98 ALDH1A1 (0.34) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114451462-A Beef tallow aroma enhancement method based on enzymolysis technology 广汉市迈德乐食品有限公司 2022-05-10 CN claimed
CN-109608081-B Synergist for reducing stone powder adsorption performance in siliceous machine-made sand and preparation method thereof 北京科技大学 2020-09-29 CN claimed
EP-2470877-B1 METHOD AND APPARATUS FOR ANTIGEN RETRIEVAL PROCESS GEN ELECTRIC (US) 2020-06-03 EP claimed
CN-109195629-A Influenza antibody molecular preparation 威特拉公司 2019-01-11 CN claimed
EP-2685973-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCULOSKELETAL RELATED DISEASES AND DISORDERS USING METAL ION-CITRATE ANALOG COMPLEXES The Charlotte-Mecklenburg Hospital Authority D/B/A (US) 2014-01-22 EP claimed
US-20120238521-A1 Compositions and Methods for the Treatment of Musculoskeletal Related Diseases and Disorders Using Metal Ion-Citrate Analog Complexes The Charlotte-Mecklenbury Hospital Authority d/b/a Carolinas Medical Center (US) 2012-09-20 US claimed
WO-2012125524-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCULOSKELETAL RELATED DISEASES AND DISORDERS USING METAL ION-CITRATE ANALOG COMPLEXES THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS MEDICAL CENTER (US) 2012-09-20 WO claimed
WO-2009077210-A1 MONETITE MATRICES AND THEIR APPLICATION IN BONE REGENERATION UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2009-06-25 WO claimed
US-6733582-B1 Brushite hydraulic cement stabilized with a magnesium salt DR. H. C. ROBERT MATHYS STIFTUNG (CH) 2004-05-11 US claimed
EP-1235599-B1 BRUSHITE HYDRAULIC CEMENT STABILIZED WITH A MAGNESIUM SALT ROBERT MATHYS STIFTUNG (CH) 2003-07-23 EP claimed
EP-1235599-A1 BRUSHITE HYDRAULIC CEMENT STABILIZED WITH A MAGNESIUM SALT Dr.h.c. Robert Mathys Stiftung (CH) 2002-09-04 EP claimed
US-6425949-B1 Hydraulic surgical cement DR. H. C. ROBERT MATHYS STIFTUNG (CH) 2002-07-30 US claimed
CN-1083009-C Process for synthesizing optically active cyanohydrin compound by oxynitrile cracking and enzyme catalysis of new enzyme source SHANGHAI INST ORGANIC CHEM (CN) 2002-04-17 CN claimed
EP-1023032-B1 HYDRAULIC SURGICAL CEMENT ROBERT MATHYS STIFTUNG (CH) 2002-01-02 EP claimed
WO-2001041824-A1 BRUSHITE HYDRAULIC CEMENT STABILIZED WITH A MAGNESIUM SALT DR.H.C. ROBERT MATHYS STIFTUNG (CH) 2001-06-14 WO claimed
EP-1023032-A1 HYDRAULIC SURGICAL CEMENT Dr.h.c. Robert Mathys Stiftung (CH) 2000-08-02 EP claimed
CN-1243880-A Process for synthesizing optically active cyanohydrin compound by oxynitrile cracking and enzyme catalysis of new enzyme source SHANGHAI INST ORGANIC CHEM (CN) 2000-02-09 CN claimed
WO-1999017710-A1 HYDRAULIC SURGICAL CEMENT DR. H.C. ROBERT MATHYS STIFTUNG (CH) 1999-04-15 WO claimed
JP-63164884-A None JP disclosed
US-4076852-A MIXING CYSTEINE HYDROCHLORIDE, EGGS, THIAMINE HYDROCHLORIDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 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 (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-20120238521-A1 Compositions and Methods for the Treatment of Musculoskeletal Related Diseases and Disorders Using Metal Ion-Citrate Analog Complexes CS, ACLY, CA5A ALDH1A1 1294/4885TSHR 1271/4885CYP2D6 3094/4885

“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.