SCHEMBL237447

SCHEMBL237447

CCC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ELANE P08246 3/20 0.49
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
ALOX15 P16050 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL13438815 0.86 ALDH1A1 (0.49) CES2CES1ELANEMAPTATM
SCHEMBL1088831 0.84 CES2 (0.53) CES2CES1ELANEMAPTATM
SCHEMBL10841757 0.82 ELANE (0.46) ELANEMAPTRECQLSMN1; SMN2
SCHEMBL7688111 0.82 ELANE (0.47) ELANEMAPTATML3MBTL1TDP1
SCHEMBL27445611 0.82 KMT2A (0.49) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL1119165 0.81 CES2 (0.56) CES2CES1ATML3MBTL1RECQL
SCHEMBL58882 0.81 TDP1 (0.44) CES2CES1ELANEMAPTATM
SCHEMBL1290072 0.80 MGLL (0.47) MAPTL3MBTL1RECQLRAB9AALDH1A1
SCHEMBL434641 0.80 ELANE (0.49) CES2CES1ELANEMAPTATM
SCHEMBL8069670 0.80 MAPT (0.46) ELANEMAPTATML3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685248-B1 OXIDOREDUCTASE FROM METSCHNIKOWIA ZOBELLII IEP GMBH (DE) 2010-06-09 EP claimed
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US claimed
US-20030083380-A1 Method of using hydroxycarboxylic acids or related compounds for treating skin changes asociated with intrinsic and extrinsic aging YU RUEY J (US) 2003-05-01 US claimed
WO-2002100478-A9 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2003-03-27 WO claimed
WO-2002100478-A2 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2002-12-19 WO claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
US-20010016604-A1 Additives enhancing topical actions of therapeutic agents TRISTRATA, INCORPORATED 2001-08-23 US claimed
EP-0508324-B1 Use of cosmetic compositions comprising 2-hydrocarboxylic acids and related compounds for alleviating signs of nail changes YU RUEY J (US) 1999-03-17 EP claimed
US-5834510-A TOPICAL APPLICATION TRISTRATA TECHNOLOGY, INC. 1998-11-10 US claimed
US-5691378-A Method for treating wrinkles using combinations of alpha hydroxyacids and/or alpha ketoacids TRISTRATA TECHNOLOGY, INC. (US) 1997-11-25 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
US-5554652-A TOPICALLY APPLYING MIXTURE TO REDUCE OR PREVENT SKIN DISORDERS 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
WO-1992018116-A1 COMPOSITIONS COMPRISING 2-HYDROXYCARBOXYLIC ACIDS AND RELATED COMPOUNDS, AND METHODS FOR ALLEVIATING SIGNS OF DERMATOLOGICAL AGING YU RUEY J (US) 1992-10-29 WO claimed
EP-0508324-A2 Compositions comprising 2-hydroxycarboxylic acids and related compounds, and methods for alleviating signs of dermatological aging Yu, Ruey J., Dr. (US) 1992-10-14 EP claimed
US-5091171-A Skin disorders IGI, INC. 1992-02-25 US claimed
EP-0413528-A1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use Yu, Ruey J., Dr. (US) 1991-02-20 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 (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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 CES2 2804/4885CES1 3451/4885ELANE 1326/4885
US-20010016604-A1 Additives enhancing topical actions of therapeutic agents ALOX15, PLOD3, ALOX15B CES2 3155/4885CES1 1700/4885ELANE 288/4885

“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.