SCHEMBL1899403

SCHEMBL1899403

[CH2]C(O)NCCN.[NaH].[NaH].[NaH]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
GGT1 P19440 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA1 P00915 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL1628901 0.97
SCHEMBL27074384 0.82 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL123824 0.73
SCHEMBL9911185 0.73 CA12 (0.39) CA12CA6CA7CA9CA14
SCHEMBL24400179 0.71
SCHEMBL28185696 0.71
SCHEMBL27480934 0.71
SCHEMBL28866382 0.70
SCHEMBL6403719 0.69
SCHEMBL27099 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020166678-A1 COSMETIC INGREDIENT, COSMETIC, AND PRODUCTION METHOD FOR COSMETIC ミヨシ油脂株式会社 2020-08-20 WO disclosed
US-20170027830-A1 HAIR DYE COMPOSITION HOYU CO., LTD. (JP) 2017-02-02 US disclosed
EP-1958612-B1 TREHALOSE FATTY ACID ESTER COMPOSITION NISSHIN OILLIO GROUP LTD (JP) 2014-07-02 EP disclosed
EP-2324887-A1 Deodorizing skin treatment composition Shiseido Company, Limited (JP) 2011-05-25 EP disclosed
EP-1550429-B1 EXTERNAL PREPARATIONS FOR SKIN SHISEIDO CO LTD (JP) 2010-11-17 EP disclosed
US-7445790-B2 External preparations for skin SHISEIDO COMPANY, LTD. (JP) 2008-11-04 US disclosed
EP-1958612-A1 TREHALOSE FATTY ACID ESTER COMPOSITION The Nisshin OilliO Group, Ltd. (JP) 2008-08-20 EP disclosed
EP-1739096-A1 PECTIN ORIGINATING IN PLANT CELL Mitsui Chemicals, Inc. (JP) 2007-01-03 EP disclosed
US-20050180931-A1 External preparations for skin SHISEIDO COMPANY, LTD. (JP) 2005-08-18 US disclosed
US-20050158264-A1 Sympathetic nerve-stimulating fragrant compositions SHISEIDO COMPANY, LTD. 2005-07-21 US disclosed
US-20050003976-A1 Sympathetic nerve-stimulating fragrant compositions SHISEIDO COMPANY, LTD. 2005-01-06 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 (2 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-20170027830-A1 HAIR DYE COMPOSITION DHCR7, SRD5A1, PLIN5 CA12 1186/4885CA6 1889/4885CA7 684/4885
US-20050180931-A1 External preparations for skin CUTA, HRH1, CYP24A1 CA12 1558/4885CA6 1528/4885CA7 1330/4885

“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.