SCHEMBL1961129

SCHEMBL1961129

CCCCCNCCN(CCO)CCC(=O)O.[Na]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
PAOX Q6QHF9 1/20 0.43
AKR1B1 P15121 1/20 0.41
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
PTPN1 P18031 3/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL1961006 1.00 KDM5A (0.43) KDM5APHF8KDM4CPAOXAKR1B1
SCHEMBL1274484 0.98 KDM5A (0.44) KDM5APHF8KDM4CPAOXAKR1B1
SCHEMBL28609397 0.97 KDM5A (0.47) KDM5APHF8KDM4CPAOXTSHR
Acetic Acid SCHEMBL28942593 0.95 PAOX (0.45) KDM5APHF8KDM4CPAOXAKR1B1
SCHEMBL29986920 0.91 EPHX2 (0.52) PPARGPPARDPPARAPTPN1TDP1
Trolamine SCHEMBL28088316 0.89 KDM5A (0.48) KDM5APHF8KDM4CPAOXTSHR
Trolamine SCHEMBL1962252 0.89 KDM5A (0.48) KDM5APHF8KDM4CPAOXTSHR
SCHEMBL21981245 0.88 EPHX2 (0.52) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL4945383 0.86 TSHR (0.42) KDM5APHF8KDM4CPAOXAKR1B1
Trolamine SCHEMBL27897006 0.85 KDM5A (0.43) KDM5APHF8KDM4CAKR1B1TSHR

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
EP-1928402-B1 Carnitine derivative, salt thereof, external skin preparation and cosmetic preparation SHOWA DENKO KK (JP) 2014-03-12 EP disclosed
US-8551509-B2 Skin agent for external use and cosmetic agent including ubiquinone derivative or salt thereof and method using the same SHOWA DENKO K.K. (JP) 2013-10-08 US disclosed
US-20110144062-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT SHOWA DENKO K.K. (JP) 2011-06-16 US disclosed
US-7842726-B2 Carnitine derivative, salt thereof, external skin preparation and cosmetic material SHOWA DENKO K.K. (JP) 2010-11-30 US disclosed
EP-1912708-B1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO KK (JP) 2010-09-08 EP disclosed
US-20100152134-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2010-06-17 US disclosed
US-20100074879-A1 SKIN AGENT FOR EXTERNAL USE AND COSMETIC AGENT INCLUDING UBIQUINONE DERIVATIVE OR SALT THEREOF AND METHOD USING THE SAME SHOWA DENKO K.K. (JP) 2010-03-25 US disclosed
US-20090240070-A1 WHITENING DERMATOLOGICAL PREPARATIONS SHOWA DENKO K.K. (JP) 2009-09-24 US disclosed
US-20090234153-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO K.K. (JP) 2009-09-17 US disclosed
US-20090203649-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT SHOWA DENKO K.K. (JP) 2009-08-13 US disclosed
EP-2081544-A1 SKIN AGENT FOR EXTERNAL USE AND COSMETIC AGENT INCLUDING UBIQUINONE DERIVATIVE OR SALT THEREOF AND METHOD USING THE SAME Showa Denko K.K. (JP) 2009-07-29 EP disclosed
EP-2037873-A2 DERMATOLOGICAL ANTI-WRINKLE AGENT Showa Denko K.K. (JP) 2009-03-25 EP disclosed
EP-1981492-A1 WHITENING DERMATOLOGICAL PREPARATIONS Showa Denko K.K. (JP) 2008-10-22 EP disclosed
WO-2008047882-A1 SKIN AGENT FOR EXTERNAL USE AND COSMETIC AGENT INCLUDING UBIQUINONE DERIVATIVE OR SALT THEREOF AND METHOD USING THE SAME SHOWA DENKO K.K. (JP) 2008-04-24 WO disclosed
EP-1909917-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION Showa Denko K.K. (JP) 2008-04-16 EP disclosed
WO-2008001921-A2 DERMATOLOGICAL ANTI-WRINKLE AGENT SHOWA DENKO K.K. (JP) 2008-01-03 WO disclosed
WO-2007091694-A1 WHITENING DERMATOLOGICAL PREPARATIONS SHOWA DENKO K.K. (JP) 2007-08-16 WO disclosed
WO-2007043339-A9 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL SHOWA DENKO KK (JP) 2007-06-07 WO disclosed
WO-2007013633-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION SHOWA DENKO K.K. (JP) 2007-02-01 WO 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 (6 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-20100152134-A1 EMULSIFIED SKIN EXTERNAL PREPARATION AND METHOD FOR STABILIZING THE SKIN EXTERNAL PREPARATION DEGS1, DSG1, TTPA KDM5A 3051/4885PHF8 1464/4885KDM4C 2601/4885
US-20090203649-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT CUTA, GLA, COL1A1 KDM5A 777/4885PHF8 61/4885KDM4C 1272/4885
US-20110144062-A1 DERMATOLOGICAL ANTI-WRINKLE AGENT CUTA, COL1A1, GLA KDM5A 703/4885PHF8 58/4885KDM4C 1246/4885
US-20100074879-A1 SKIN AGENT FOR EXTERNAL USE AND COSMETIC AGENT INCLUDING UBIQUINONE DERIVATIVE OR SALT THEREOF AND METHOD USING THE SAME NDUFA11, NDUFA12, NDUFA1 KDM5A 2390/4885PHF8 851/4885KDM4C 2933/4885
US-20090234153-A1 CARNITINE DERIVATIVE, SALT THEREOF, EXTERNAL SKIN PREPARATION AND COSMETIC MATERIAL CRAT, CUTA, SLC25A20 KDM5A 1600/4885PHF8 717/4885KDM4C 1480/4885
US-20090240070-A1 WHITENING DERMATOLOGICAL PREPARATIONS RBP1, TYR, TTPA KDM5A 399/4885PHF8 448/4885KDM4C 1692/4885

“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.