SCHEMBL2797912

SCHEMBL2797912

NCCN(C(C(=O)O)c1cc(C(=O)O)ccc1O)C(C(=O)O)c1cc(C(=O)O)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
GAA P10253 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PTGS1 P23219 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
GRM1 Q13255 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL487951 0.83 LMNA (0.43) KDM4EMAPTPOLBL3MBTL1TDP1
SCHEMBL157144 0.79 TSHR (0.37) KDM4EPTGS2POLBCA12CA1
Ethylenediamine SCHEMBL731611 0.77 KDM4E (0.48) KDM4EMAPTPTGS2POLBL3MBTL1
SCHEMBL2799841 0.74 ALDH1A1 (0.44) KDM4EMAPTPOLBGAAPTGS1
SCHEMBL19362158 0.72 POLB (0.34) KDM4EPTGS2POLBGAAPTGS1
SCHEMBL6580109 0.71 PTPN9 (0.34) KDM4EPTGS2POLBPTGS1TDP1
SCHEMBL10465166 0.69 TAAR1 (0.40) KDM4EMAPTPOLBL3MBTL1GAA
SCHEMBL29120261 0.68 KDM4E (0.48) KDM4EMAPTPTGS2POLBL3MBTL1
Ethylenediamine SCHEMBL14353963 0.68 KDM4E (0.48) KDM4EMAPTPTGS2POLBL3MBTL1
SCHEMBL30720426 0.68 KDM4E (0.48) KDM4EMAPTPTGS2POLBL3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10925814-B2 Cream gels comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2021-02-23 US disclosed
US-10813860-B2 Leave-in chemical foam comprising benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-10-27 US disclosed
US-10702466-B2 Emulsions comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-07-07 US disclosed
US-10449175-B2 Rinse-off chemical mousse containing benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-10-22 US disclosed
EP-2175935-B1 TOPICAL COMPOSITION CONTAINING ADAPALENE FOR THE TREATMENT OF KERATINIZATION DISORDERS GALDERMA RES & DEV (FR) 2018-10-24 EP disclosed
US-20180263865-A1 CREAM GELS COMPRISING AT LEAST ONE RETINOID AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-09-20 US disclosed
US-20180185283-A1 NON-RINSE CHEMICAL MOUSSE CONTAINING ADAPALENE AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-07-05 US disclosed
US-9999577-B2 Cream gels comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-06-19 US disclosed
US-20170172972-A1 RINSE-OFF CHEMICAL MOUSSE CONTAINING BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-06-22 US disclosed
US-20170172877-A1 LEAVE-IN CHEMICAL FOAM COMPRISING BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-06-22 US disclosed
US-20150098918-A1 CREAM GELS COMPRISING AT LEAST ONE RETINOID AND BENZOYL PEROXIDE GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-04-09 US disclosed
US-8957112-B2 Cream gels comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-17 US disclosed
US-8716341-B2 Topically applicable compositions for the treatment of keratinization disorders GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-05-06 US disclosed
US-20100166852-A1 Cream gels comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US disclosed
US-20100144883-A1 TOPICALLY APPLICABLE COMPOSITIONS FOR THE TREATMENT OF KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT, BIOT, FRANCE 2010-06-10 US disclosed
US-20090318550-A1 Emulsions comprising at least one retinoid and benzoyl peroxide GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-24 US disclosed
US-20090191245-A1 REDUCED-IRRITANT DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE NAPHTHOIC ACID COMPOUND AND BENZOYL PEROXIDE AND TREATMENT OF KERATINIZATION DISORDERS THEREWITH GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-07-30 US disclosed
US-20090098219-A1 Cosmetic/pharmaceutical compositions comprising retinoids and anti-irritants and treatment of keratinization disorders therewith GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-04-16 US disclosed
US-20090012172-A1 Cosmetic/pharmaceutical compositions comprising retinoids and anti-irritants and treatment of keratinization disorders therewith GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 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-20090191245-A1 REDUCED-IRRITANT DERMATOLOGICAL COMPOSITIONS COMPRISING AT LEAST ONE NAPHTHOIC ACID COMPOUND AND BENZOYL PEROXIDE AND TREATMENT OF KERATINIZATION DISORDERS THEREWITH CUTA, KRT18, RARA KDM4E 4350/4885MAPT 3554/4885PTGS2 784/4885
US-20100144883-A1 TOPICALLY APPLICABLE COMPOSITIONS FOR THE TREATMENT OF KERATINIZATION DISORDERS KRT18, COL14A1, ADCY10 KDM4E 2849/4885MAPT 2801/4885PTGS2 2731/4885
US-20090012172-A1 Cosmetic/pharmaceutical compositions comprising retinoids and anti-irritants and treatment of keratinization disorders therewith KRT18, RARA, RARB KDM4E 2825/4885MAPT 3338/4885PTGS2 1497/4885
US-20090098219-A1 Cosmetic/pharmaceutical compositions comprising retinoids and anti-irritants and treatment of keratinization disorders therewith RARA, RARB, RARG KDM4E 3512/4885MAPT 3994/4885PTGS2 3377/4885

“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.