SCHEMBL503700

SCHEMBL503700

COc1ccc([C@@H](O)C(=O)O)cc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.76
TSHR P16473 2/20 0.76
BLM P54132 1/20 0.76
TUBB1 Q9H4B7 5/20 0.55
TUBB4A P04350 4/20 0.55
TUBB P07437 4/20 0.55
TUBA3C P0DPH7 4/20 0.55
TUBA1B P68363 4/20 0.55
TUBA4A P68366 4/20 0.55
TUBB4B P68371 4/20 0.55
TUBB3 Q13509 4/20 0.55
TUBB2A Q13885 4/20 0.55
TUBB8 Q3ZCM7 4/20 0.55
TUBA3E Q6PEY2 4/20 0.55
TUBA1A Q71U36 4/20 0.55
TUBA1C Q9BQE3 4/20 0.55
TUBB6 Q9BUF5 4/20 0.55
TUBB2B Q9BVA1 4/20 0.55
GAA P10253 2/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL352960 1.00 NPSR1 (0.76) NPSR1TSHRBLMTUBB1TUBB4A
SCHEMBL10085812 1.00 NPSR1 (0.76) NPSR1TSHRBLMTUBB1TUBB4A
SCHEMBL9065486 0.94 TSHR (0.88) NPSR1TSHRBLMTUBB1TUBB4A
SCHEMBL134326 0.86 TSHR (1.00) NPSR1TSHRBLMGAAACHE
SCHEMBL1243722 0.86 TSHR (1.00) NPSR1TSHRBLMGAAACHE
SCHEMBL10085823 0.86 TSHR (1.00) NPSR1TSHRBLMGAAACHE
SCHEMBL140947 0.86 TSHR (1.00) NPSR1TSHRBLMGAAACHE
SCHEMBL187137 0.86 NPSR1 (0.75) NPSR1TSHRBLMACHEALDH1A1
SCHEMBL187138 0.86 NPSR1 (0.75) NPSR1TSHRBLMACHEALDH1A1
SCHEMBL20566321 0.85 BLM (0.91) NPSR1TSHRBLMGAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8287764-B2 Coated particles AKZO NOBEL N.V. (NL) 2012-10-16 US claimed
US-8114775-B2 Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers DUPONT AIR PRODUCTS NANOMATERIALS, LLC (US) 2012-02-14 US claimed
US-20110133128-A1 COATED PARTICLES AKZO NOBEL N.V. (NL) 2011-06-09 US claimed
EP-1871855-B1 DIHYDROXY ENOL COMPOUNDS USED IN CHEMICAL MECHANICAL POLISHING COMPOSITIONS HAVING METAL ION OXIDIZERS DUPONT AIR PROD NANOMATERIALS (US) 2010-03-24 EP claimed
US-20090308836-A1 DIHYDROXY ENOL COMPOUNDS USED IN CHEMICAL MECHANICAL POLISHING COMPOSITIONS HAVING METAL ION OXIDIZERS VERSUM MATERIALS US, LLC 2009-12-17 US claimed
EP-1023888-B1 Hair cosmetic composition KAO CORP (JP) 2009-03-25 EP claimed
EP-1871855-A1 DIHYDROXY ENOL COMPOUNDS USED IN CHEMICAL MECHANICAL POLISHING COMPOSITIONS HAVING METAL ION OXIDIZERS DuPont Air Products NanoMaterials L.L.C. (US) 2008-01-02 EP claimed
US-20060270235-A1 Dihydroxy enol compounds used in chemical mechanical polishing compositions having metal ion oxidizers VERSUM MATERIALS US, LLC 2006-11-30 US claimed
US-20060269495-A1 Alpha hydroxy acid compositions STIEFEL LABORATORIES, INC. 2006-11-30 US claimed
US-20060229258-A1 Steroidal compositions containing hydroxycarboxylic acids and methods of using the same STIEFEL LABORATORIES, INC. 2006-10-12 US claimed
EP-0770399-A2 Additives enhancing topical actions of therapeutic agents Van Scott, Eugene J., Dr. (US) 1997-05-02 EP claimed
US-5621006-A TOPICALLY APPLYING IN A VEHICLE, E.G. HYDROXYACIDS, KETOACIDS AND SALTS, ESTERS THEREOF YU RUEY J (US) 1997-04-15 US claimed
EP-0599819-B1 Use of hydroxycarboxylic acids and derivatives for the preparation of topical dermatologic compositions for the treatment of wrinkles SCOTT EUGENE J VAN (US) 1997-04-02 EP claimed
US-5561158-A Compositions comprising 2-hydroxycarboxylic acids and related compounds, and methods for alleviating signs of dermatological aging TRISTRATA, INCORPORATED 1996-10-01 US claimed
US-5561157-A INCLUDES ORGANIC ALPHA AND BETA HYDROXY OR KETO CARBOXYLIC ACIDS, ESTERS, LACTONES AND/OR SALTS; USED FOR SKIN DISORDERS TRISTRATA INC (US) 1996-10-01 US claimed
US-5554597-A Compositions comprising 2-hydroxycarboxylic acids and related compounds, and methods for alleviating signs of dermatological aging TRISTRATA INC (US) 1996-09-10 US claimed
US-5554654-A COMPRISING SALICYLIC ACID, RETINOIC ACID, ERYTHROMYCIN, METRONIDAZOLE, TETRACYCLINE, CLINDAMYCIN, MINOCYCLINE, MECLOCYCLINE OR BENZILIC ACID BY COMBINING WITH 2-HYDROXY ACID, 2-KETOACID, DERIVATIVE THEREOF OR RELATED COMPOUND TRISTRATA INC (US) 1996-09-10 US claimed
EP-0273202-B1 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. SCOTT EUGENE J VAN (US) 1995-06-21 EP claimed
EP-0599819-A2 Additives enhancing topical actions of therapeutic agents Van Scott, Eugene J., Dr. (US) 1994-06-01 EP claimed
EP-0273202-A2 Use of hydroxycarboxylic acids to enhance therapeutic effects of topical compositions for fungal infections and pigmented spots. Van Scott, Eugene J., Dr. (US) 1988-07-06 EP claimed

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-20110133128-A1 COATED PARTICLES CD63, CD44, S100A4 NPSR1 3276/4885TSHR 4837/4885BLM 2513/4885

“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.