SCHEMBL6408896

SCHEMBL6408896

CC(=O)OCCCNC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALOX15 P16050 1/20 0.40
FAAH O00519 1/20 0.40
ACHE P22303 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6408519 0.94 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA3
SCHEMBL6410426 0.93 FAAH (0.45) ALDH1A1ALOX15FAAHACHESMN1; SMN2
SCHEMBL6415654 0.93 FAAH (0.45) ALDH1A1ALOX15FAAHACHESMN1; SMN2
SCHEMBL6411344 0.88 MEN1 (0.41) ALDH1A1CA12CA1CA2CA3
SCHEMBL28726864 0.84 ALOX15 (0.42) ALOX15ACHESMN1; SMN2MEN1CYP1A2
SCHEMBL17758544 0.83 TSHR (0.41) ALDH1A1ALOX15ACHESMN1; SMN2MEN1
Dodine SCHEMBL10981167 0.83 FAAH (0.51) ALDH1A1FAAHACHE
SCHEMBL15059598 0.82 TSHR (0.50) ALDH1A1ALOX15ACHESMN1; SMN2MEN1
SCHEMBL6139352 0.82 FAAH (0.50) ALDH1A1FAAHACHE
SCHEMBL17758580 0.81 EPHX1 (0.50) ACHESMN1; SMN2CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 US disclosed
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2005-11-10 US disclosed
EP-1462463-A1 Guanidin-group containing polymer, cosmetic employing same and method of preparing same Mitsubishi Chemical Corporation (JP) 2004-09-29 EP disclosed
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same MITSUBISHI CHEMICAL CORPORATION 2002-11-21 US disclosed
EP-1236744-A2 Guanidin-group containing polymer, cosmetic employing same and method of preparing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-04 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 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 (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-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 ALDH1A1 4000/4885CA12 1360/4885CA1 3747/4885
US-20020172655-A1 Cosmetic-use polymer, cosmetic employing same, and method of preparing same DNMT1, PRMT1, JMJD6 ALDH1A1 537/4885CA12 1704/4885CA1 2783/4885
US-20050249692-A1 Polymer, cosmetic composition comprising same and method of preparing same DNMT1, TET2, H1-0 ALDH1A1 1198/4885CA12 1469/4885CA1 2657/4885

“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.