SCHEMBL461189

SCHEMBL461189

C=CCN(OC(=O)CC)OC(=O)CC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL2550182 0.83 ALDH1A1 (0.36) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL29268708 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL175866 0.77 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2A
SCHEMBL25247951 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29364311 0.74 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AKDM6BKDM5C
Potassium SCHEMBL30901352 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM6BKDM5C
SCHEMBL29613111 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM6BKDM5C
SCHEMBL31468942 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM6BKDM5C
SCHEMBL29268686 0.71 F7 (0.42) MAPTMEN1KMT2ALMNA
SCHEMBL626477 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114794099-A Nitrogen-containing surfactants for use in agriculture 诺力昂化学品国际有限公司 2022-07-29 CN claimed
EP-4029374-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE Nouryon Chemicals International B.V. (NL) 2022-07-20 EP claimed
CN-108138035-B Friction reducing agents, well treatment fluids and improvements relating thereto 伊特马奇化学英国有限公司 2022-04-15 CN claimed
CN-113825558-A Dust suppression compositions W&C控股有限责任公司 2021-12-21 CN claimed
US-20210137104-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2021-05-13 US claimed
CN-102639107-A Composition INNOSPEC LTD 2012-08-15 CN claimed
CN-102596162-A Composition INNOSPEC LTD 2012-07-18 CN claimed
CN-101243167-B Surfactant peroxycarboxylic acid compositions ECOLAB INC 2011-08-17 CN claimed
CN-101223267-B Structured surfactant compositions RHODIA 2011-04-13 CN claimed
CN-101677527-A Agrochemical composition UNIQEMA AMERICAS INC 2010-03-24 CN claimed
CN-101243167-A Surfactant peroxycarboxylic acid compositions ECOLAB INC (US) 2008-08-13 CN claimed
CN-101223267-A Structured surfactant compositions RHODIA (US) 2008-07-16 CN claimed
CN-101111593-A Soap bars containing alpha sulfonated alkyl esters or sulfonated fatty acids STEPAN CO (US) 2008-01-23 CN claimed
CN-1366028-A Viscous, mild and effective cleaning composition JOHNSON & JOHNSON CONSUMER (US) 2002-08-28 CN claimed
CN-1229637-A Transparent antidandruff shampoos CECA SA (FR) 1999-09-29 CN claimed
WO-1997045510-A1 FOAMING ACIDIC DETERGENT/CLEANSING GEL SALIENT SCIENCE, INC. (US) 1997-12-04 WO claimed
US-20240215608-A1 METHODS OF USING FORMALDEHYDE-FREE ANTIMICROBIAL COMPOSITIONS IN ANIMAL BY-PRODUCT COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2024-07-04 US disclosed
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2024-05-09 US disclosed
CN-1092282-A Lipstick PROCTER & GAMBLE (US) 1994-09-21 CN disclosed
CN-1061150-A IMPROVED SHAMPOO COMPOSITIONS PROCTER & GAMBLE (US) 1992-05-20 CN 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-20210137104-A1 NITROGEN CONTAINING SURFACTANTS FOR AGRICULTURAL USE KCNN4, ITPR3, NAPEPLD ALDH1A1 4809/4885TSHR 3483/4885MAPT 3351/4885
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS F12, P4HA1, INO80C ALDH1A1 722/4885TSHR 3813/4885MAPT 1323/4885

“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.