SCHEMBL474085

SCHEMBL474085

CCCCCCCCCCC1COC(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 3/20 0.41
HLCS P50747 2/20 0.40
S1PR2 O95136 2/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
EPHX1 P07099 1/20 0.36
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35

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
SCHEMBL2780724 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL6036825 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL10337476 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL13082563 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL9052248 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL8443031 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL5518415 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2HLCSS1PR2
SCHEMBL1439579 0.85
SCHEMBL2365737 0.85
SCHEMBL1439581 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217976-A1 6-(AMINO ACID)-MORPHINAN DERIVATIVES IN COMBINATION WITH PERMEATION ENHANCERS FOR USE AS AN ORALLY, RECTALLY, TRANSDERMALLY OR NASALLY ADMINISTERED MEDICAMENT CHIRONWELLS GMBH (AT) 2017-08-03 US claimed
EP-3116986-A1 HAND SANITIZERS WITH IMPROVED AESTHETICS AND SKIN-CONDITIONING TO ENCOURAGE COMPLIANCE WITH HAND HYGIENE GUIDELINES GOJO Industries, Inc. (US) 2017-01-18 EP claimed
WO-2015139847-A1 6-(AMINO ACID)-MORPHINAN DERIVATIVES IN COMBINATION WITH PERMEATION ENHANCERS FOR USE AS AN ORALLY, RECTALLY, TRANSDERMALLY OR NASALLY ADMINISTERED MEDICAMENT CHIRONWELLS GMBH (AT) 2015-09-24 WO claimed
US-20150258003-A1 HAND SANITIZERS WITH IMPROVED AESTHETICS AND SKIN-CONDITING TO ENCOURAGE COMPLIANCE WITH HAND HYGIENE GUIDELINES SILVER POINT FINANCE, LLC, AS COLLATERAL AGENT 2015-09-17 US claimed
WO-2015138926-A1 HAND SANITIZERS WITH IMPROVED AESTHETICS AND SKIN-CONDITIONING TO ENCOURAGE COMPLIANCE WITH HAND HYGIENE GUIDELINES GOJO INDUSTRIES, INC. (US) 2015-09-17 WO claimed
EP-2916820-A1 DELIVERY OF BIOLOGICALLY-ACTIVE AGENTS USING VOLATILE, HYDROPHOBIC SOLVENTS Rochal Industries, LLC (US) 2015-09-16 EP claimed
EP-2836200-A2 REVERSE THERMAL HYDROGEL PREPARATIONS FOR USE IN THE TREATMENT OF DISORDERS OF THE UROTHELIUM Theracoat Ltd. (IL) 2015-02-18 EP claimed
US-8852648-B2 Delivery of biologically-active agents using volatile, hydrophobic solvents ROCHAL INDUSTRIES, LLP (US) 2014-10-07 US claimed
WO-2014074289-A1 DELIVERY OF BIOLOGICALLY-ACTIVE AGENTS USING VOLATILE, HYDROPHOBIC SOLVENTS ROCHAL INDUSTRIES, LLP (US) 2014-05-15 WO claimed
US-20140127320-A1 DELIVERY OF BIOLOGICALLY-ACTIVE AGENTS USING VOLATILE, HYDROPHOBIC SOLVENTS ROCHAL INDUSTRIES, LLP (US) 2014-05-08 US claimed
WO-2013153550-A2 REVERSE THERMAL HYDROGEL PREPARATIONS FOR USE IN THE TREATMENT OF DISORDERS OF THE UROTHELIUM THERACOAT LTD (IL) 2013-10-17 WO claimed
US-20080124289-A1 particularly 4-decyloxazolidin-2-one; for moisturizing skin without significant stickiness; biocompatibility LVMH RECHERCHE (FR) 2008-05-29 US claimed
US-20070269379-A1 Penetration Enhancer Combinations for Transdermal Delivery REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-11-22 US claimed
WO-2005009510-A2 PENETRATION ENHANCER COMBINATIONS FOR TRANSDERMAL DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-03 WO claimed
US-6503478-B2 Administering deuderated compound; spectrum analysis; applying electromagnetic waves, scanning LIGHTOUCH MEDICAL, INC. 2003-01-07 US claimed
US-20020041848-A1 Administering deuderated compound; spectrum analysis; applying electromagnetic waves, scanning AVALYRA INC. 2002-04-11 US claimed
WO-2001051094-A1 DIAGNOSTIC METHOD USING A DEUTERATED AGENT FOR IMAGING SPECIFIC TISSUE LIGHTOUCH MEDICAL, INC. (US) 2001-07-19 WO claimed
WO-1996033706-A1 COMPOSITIONS AND METHODS FOR INDUCING DERMAL ANALGESIA PHARMETRIX, INC. (US) 1996-10-31 WO claimed
EP-0378657-B1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS RAJADHYAKSHA VITHAL J (US) 1994-02-02 EP claimed
US-4960771-A TRANSDERMAL DELIVERY OF THERAPEUTIC AGENTS; DRUGS, SUNSCREENS, INSECT REPELLENTS, COSMETICS LVMH MOET HENNESSY LOUIS VUITTON, INC. 1990-10-02 US 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 (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-20080124289-A1 particularly 4-decyloxazolidin-2-one; for moisturizing skin without significant stickiness; biocompatibility CUTA, TYR, DSC1 ALDH1A1 530/4885L3MBTL1 2523/4885CYP1A2 1954/4885
US-20020041848-A1 Administering deuderated compound; spectrum analysis; applying electromagnetic waves, scanning DSP, DVL3, DVL1 ALDH1A1 681/4885L3MBTL1 1245/4885CYP1A2 92/4885
US-20170217976-A1 6-(AMINO ACID)-MORPHINAN DERIVATIVES IN COMBINATION WITH PERMEATION ENHANCERS FOR USE AS AN ORALLY, RECTALLY, TRANSDERMALLY OR NASALLY ADMINISTERED MEDICAMENT FABP2, SLC1A5, FABP6 ALDH1A1 710/4885L3MBTL1 4571/4885CYP1A2 146/4885
US-20150258003-A1 HAND SANITIZERS WITH IMPROVED AESTHETICS AND SKIN-CONDITING TO ENCOURAGE COMPLIANCE WITH HAND HYGIENE GUIDELINES CUTA, HAAO, HAO1 ALDH1A1 12/4885L3MBTL1 3359/4885CYP1A2 533/4885

“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.