SCHEMBL14636002

SCHEMBL14636002

C=C(CC)C(=O)NCCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 4/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SELP P16109 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
FAAH O00519 1/20 0.32
KCNK3 O14649 1/20 0.32
CNR2 P34972 1/20 0.32
BLM P54132 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NAAA Q02083 1/20 0.31

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
SCHEMBL29573839 0.88 MEN1 (0.39) ALDH1A1MEN1KMT2AUSP2
SCHEMBL2560023 0.84 MMP1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL8855259 0.81
SCHEMBL3298402 0.80 PAOX (0.33) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL11524825 0.80 EPHX1 (0.48) MEN1KMT2A
SCHEMBL10910411 0.78 TDP1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7936208 0.78
SCHEMBL28318913 0.78 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5175562 0.77 ALOX15 (0.40) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL3293232 0.77 PAOX (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities L'OREAL (FR) 2022-10-04 US disclosed
CN-115137518-A Storage stable dental adhesive kit for use with peroxide and hydroperoxide redox initiated composite materials 义获嘉伟瓦登特公司 2022-10-04 CN disclosed
EP-2734180-B1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES OREAL (FR) 2021-03-31 EP disclosed
EP-2734499-B1 MEROCYANINE DERIVATIVES BASF SE (DE) 2020-06-24 EP disclosed
US-9550730-B2 Merocyanine derivatives BASF SE (DE) 2017-01-24 US disclosed
CN-102471632-B Aqueous polymer dispersion as a binding agent for plasters and coating materials having improved fire behavior BASF SE 2014-12-03 CN disclosed
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-10-02 US disclosed
US-20140150380-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2014-06-05 US disclosed
EP-2734180-A2 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2014-05-28 EP disclosed
EP-2734499-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2014-05-28 EP disclosed
CN-102325797-B Binder compositions comprising boric acid or boric acid salt BASF SE 2014-02-12 CN disclosed
CN-102037034-B Polymer dispersions containing phosphorous polymers and emulsifiers BASF SE 2013-06-19 CN disclosed
WO-2013011480-A1 MEROCYANINE DERIVATIVES BASF SE (DE) 2013-01-24 WO disclosed
WO-2013011094-A2 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
WO-2013010590-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES L'OREAL (FR) 2013-01-24 WO disclosed
CN-102471632-A Aqueous polymer dispersions as binders for plasters and coatings with improved fire behaviour BASF SE 2012-05-23 CN disclosed
CN-102325797-A Binder compositions comprising boric acid or boric acid salt BASF SE 2012-01-18 CN disclosed
CN-102037034-A Polymer dispersions containing phosphorous polymers and emulsifiers BASF SE 2011-04-27 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 (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-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities KRT18, LAGE3, TYR ALDH1A1 1018/4885MEN1 621/4885KMT2A 883/4885
US-20140150380-A1 MEROCYANINE DERIVATIVES CRY1, MAPRE1, MC5R ALDH1A1 520/4885MEN1 122/4885KMT2A 2457/4885
US-20140294743-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES KRT18, LAGE3, TYR ALDH1A1 1018/4885MEN1 621/4885KMT2A 883/4885

“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.