SCHEMBL1668995

SCHEMBL1668995

CCCCCCCCCCCC1OCCCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
EPHX1 P07099 1/20 0.54
SPHK1 Q9NYA1 7/20 0.43
SPHK2 Q9NRA0 6/20 0.43
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
ENPP2 Q13822 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1666932 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL3093222 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL14779270 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL14779341 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL14779416 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL6896512 1.00 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL2754170 0.98 ALDH1A1 (0.54) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL5945225 0.95 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL5945122 0.95 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3
SCHEMBL5945096 0.95 ALDH1A1 (0.58) ALDH1A1EPHX1SPHK1SPHK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174897-A1 LIQUID HAND DISHWASHING DETERGENT COMPOSITION THE PROCTER & GAMBLE COMPANY 2023-06-08 US disclosed
US-20210330667-A1 TOPICAL COMPOSITION OF NALBUPHINE AND METHOD FOR TREATING PRURITUS CONDITION, PAIN, OR INFLAMMATORY CONDITION BY USING THE SAME LUMOSA THERAPEUTICS CO., LTD. (TW) 2021-10-28 US disclosed
EP-2303265-B1 STABLE TOPICAL FORMULATION COMPRISING VORICONAZOLE GLENMARK PHARMACEUTICALS LTD (IN) 2014-12-10 EP disclosed
US-20110105448-A1 Stable Topical Formulation Comprising Voriconazole GLENMARK PHARMACEUTICALS LIMITED (IN) 2011-05-05 US disclosed
EP-2303265-A2 STABLE TOPICAL FORMULATION COMPRISING VORICONAZOLE Glenmark Pharmaceuticals Limited (IN) 2011-04-06 EP disclosed
WO-2010084505-A2 STABLE TOPICAL FORMULATION COMPRISING VORICONAZOLE GLENMARK PHARMACEUTICALS LIMITED (IN) 2010-07-29 WO disclosed
EP-1879593-A2 LOW DOSE ADMINISTRATION OF A TOPICAL COMPOSITION MacroChem Corporation (US) 2008-01-23 EP disclosed
EP-1865896-A1 ENHANCEMENT OF MACROLIDE PENETRATION THROUGH HUMAN SKIN MacroChem Corporation (US) 2007-12-19 EP disclosed
US-20070287688-A1 Pharmaceutical Compositions for Topical Application MACRO CHEM CORPORATION 2007-12-13 US disclosed
US-20070190019-A1 Compositions and methods for topical administration MACROCHEM CORPORATION 2007-08-16 US disclosed
US-6224887-B1 MIXTURE CONTAINING PENETRATION PROMOTER, WATER INSOLUBLE FILM FORMING POLYMER AND SOLVENT MACROCHEM CORPORATION 2001-05-01 US disclosed
EP-0983037-A4 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MACROCHEM CORP (US) 2000-04-26 EP disclosed
EP-0983037-A1 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MacroChem Corporation (US) 2000-03-08 EP disclosed
US-5976566-A INCLUDING IN THE FORMULATION 2-HYDROCARBYL-1,3-DIOXOLANE, 1,3-DIOXANE OR AN ACETAL, AS SKIN PENETRATION ENHANCING COMPOUND. MACROCHEM CORPORATION (US) 1999-11-02 US disclosed
US-5968919-A CONTAINING PENETRATION ENHANCER OF (HYDROCARBYL-SUBSTITUTED) 1,3-DIOXOLANE, 1,3-DIOXANE OR ACETAL MACROCHEM CORPORATION (US) 1999-10-19 US disclosed
WO-1999039680-A1 ANTIFUNGAL NAIL LACQUER AND METHOD USING SAME MACROCHEM CORPORATION (US) 1999-08-12 WO disclosed
US-5620980-A TOPICALLY APPLYING MINOXIDIL AND PENETRATION ENHANCING AMOUNT OF 2-ALKYL-1,3-DIOXOLANE TO SKIN MACROCHEM CORPORATION (US) 1997-04-15 US disclosed
EP-0268460-B1 NEW PERCUTANEOUS ABSORPTION ENHANCERS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE Macrochem Corporation (US) 1991-11-06 EP disclosed
US-4861764-A Percutaneous absorption enhancers, compositions containing same and method of use MACRO CHEM. CORP. (US) 1989-08-29 US disclosed
EP-0268460-A1 New percutaneous absorption enhancers, compositions containing same and method of use Macrochem Corporation (US) 1988-05-25 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 (3 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-20070287688-A1 Pharmaceutical Compositions for Topical Application CYP8B1, NR1H3, NR1H2 ALDH1A1 731/4885EPHX1 191/4885SPHK1 1311/4885
US-20110105448-A1 Stable Topical Formulation Comprising Voriconazole ERG28, CYP51A1, PIK3C3 ALDH1A1 4022/4885EPHX1 3530/4885SPHK1 82/4885
US-20070190019-A1 Compositions and methods for topical administration DSG1, CUTA, KRT18 ALDH1A1 1149/4885EPHX1 2063/4885SPHK1 601/4885

“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.