SCHEMBL4116706

SCHEMBL4116706

O=C(OCC(O)Cc1ccccc1)C(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
SRR Q9GZT4 2/20 0.47
CYP1A2 P05177 1/20 0.46
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CTSL P07711 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPG P10696 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MDM2 Q00987 1/20 0.42
PPARG P37231 7/20 0.41
PPARA Q07869 6/20 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
SCHEMBL375857 0.82 CYP1A2 (0.56) TRPA1SRRCYP1A2ALPIPKM
SCHEMBL16476537 0.82 CYP1A2 (0.56) TRPA1SRRCYP1A2ALPIPKM
SCHEMBL7046944 0.81 ALDH1A1 (0.55) SRRCYP1A2
SCHEMBL4219709 0.81 ALDH1A1 (0.55) SRRCYP1A2
SCHEMBL262278 0.81 ALDH1A1 (0.55) SRRCYP1A2
SCHEMBL6284464 0.80 MMP8 (0.59) TRPA1CYP1A2PKMPOLBPPARG
SCHEMBL1245765 0.80 MMP8 (0.59) TRPA1CYP1A2PKMPOLBPPARG
SCHEMBL1785293 0.80 MMP8 (0.59) TRPA1CYP1A2PKMPOLBPPARG
SCHEMBL821837 0.79 CYP1A2 (0.46) TRPA1SRRCYP1A2ALPIPKM
SCHEMBL1637392 0.78 THRB (0.47) TRPA1SRRCYP1A2ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5886041-A SKIN DISORDERS TRISTRATA TECHNOLOGY, INC. (US) 1999-03-23 US claimed
EP-0413528-B1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use YU RUEY J (US) 1995-11-15 EP claimed
EP-0671162-A2 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use Yu, Ruey J., Dr. (US) 1995-09-13 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
US-20090105196-A1 USE OF CREATINE COMPOUNDS TO TREAT DERMATITIS AVICENA GROUP, INC. 2009-04-23 US disclosed
WO-2009002913-A1 USE OF CREATINE COMPOUNDS TO TREAT DERMATITIS AVICENA GROUP, INC. (US) 2008-12-31 WO disclosed
EP-1207846-B1 TOWELETTE PRODUCT UNILEVER PLC (GB) 2006-10-18 EP disclosed
EP-1161518-B1 TOWELETTE PRODUCT UNILEVER PLC (GB) 2006-05-31 EP disclosed
US-6767924-B2 COMPRISES 2-KETOETHANOIC ACID FOR COSMETIC CONDITIONS AND DERMATOLOGIC DISORDERS TRISTRATA TECHNOLOGY, INC. 2004-07-27 US disclosed
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 disclosed
US-20030044362-A1 Method and product for skin lightening UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-03-06 US disclosed
US-5643961-A TREATMENT OF SKIN WITH COSMETICS TRISTRATA TECHNOLOGY, INC. (US) 1997-07-01 US disclosed
US-5637615-A ANTIAGING AGENT TRISTRATA TECHNOLOGY, INC. (US) 1997-06-10 US disclosed
EP-0413528-B1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use YU RUEY J (US) 1995-11-15 EP disclosed
EP-0671162-A2 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use Yu, Ruey J., Dr. (US) 1995-09-13 EP disclosed
US-5385938-A application of mixtures containing hydroxyacetic acid(or its salts) to skin IGI, INC. 1995-01-31 US disclosed
US-5091171-A Skin disorders IGI, INC. 1992-02-25 US disclosed
EP-0413528-A1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use Yu, Ruey J., Dr. (US) 1991-02-20 EP 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-20090105196-A1 USE OF CREATINE COMPOUNDS TO TREAT DERMATITIS CKMT1A; CKMT1B, CRAT, LRAT TRPA1 3478/4885SRR 19/4885CYP1A2 1666/4885

“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.