SCHEMBL339038

SCHEMBL339038

CCOC(=O)C[CH]COCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 4/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 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
SCHEMBL2373326 0.76
Ethyl Propionate SCHEMBL15376016 0.74 ALDH1A1 (0.50) ALDH1A1GAAMGAMSIMGAM2
Di(Hydroxyethyl)Ether SCHEMBL28137693 0.74 ALDH1A1 (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL50342 0.74 ALDH1A1 (0.50) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL11244901 0.73
Di(Hydroxyethyl)Ether SCHEMBL28213240 0.72 GAA (0.52) ALDH1A1GAAMGAMSIMGAM2
Triethylene Glycol SCHEMBL28249746 0.72 ALDH1A1 (0.48) ALDH1A1GAAMGAMSIMGAM2
Methyl Alcohol SCHEMBL28326399 0.72 ALDH1A1 (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL580820 0.72 ALDH1A1 (0.48) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL23636447 0.71 ALDH1A1 (0.46) ALDH1A1GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458162-B1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION BASF SE (DE) 2024-07-10 EP disclosed
CN-117883308-A Cosmetic or dermatological composition comprising a merocyanine and an oily phase comprising at least one alkyl or alkylene carbonate 莱雅公司 2024-04-16 CN disclosed
EP-4262719-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AN OILY PHASE COMPRISING AT LEAST ONE CITRIC ACID ESTER L'OREAL (FR) 2023-10-25 EP disclosed
EP-4262714-A1 COSMETIC COMPOSITION COMPRISING A MEROCYANINE, A TRIAZINE UV-SCREENING AGENT, AND A POLYSACCHARIDE MODIFIED WITH HYDROPHOBIC CHAINS L'OREAL (FR) 2023-10-25 EP disclosed
US-11679069-B2 Cosmetic or dermatological composition comprising a merocyanine and an oily phase comprising at least one alkyl or alkylene carbonate L'OREAL (FR) 2023-06-20 US disclosed
WO-2022129059-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AN OILY PHASE COMPRISING AT LEAST ONE CITRIC ACID ESTER L'OREAL (FR) 2022-06-23 WO disclosed
WO-2022129039-A1 COSMETIC COMPOSITION COMPRISING A MEROCYANINE, A TRIAZINE UV-SCREENING AGENT, AND A POLYSACCHARIDE MODIFIED WITH HYDROPHOBIC CHAINS L'OREAL (FR) 2022-06-23 WO disclosed
CN-107260561-B Cosmetic and/or dermatological composition containing merocyanine derivatives 莱雅公司 2022-05-17 CN disclosed
US-20220047483-A1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION BASF SE (DE) 2022-02-17 US disclosed
US-20210251868-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AN OILY PHASE COMPRISING AT LEAST ONE ALKYL OR ALKYLENE CARBONATE L'OREAL (FR) 2021-08-19 US disclosed
WO-2007071584-A2 USE OF TRANSMISSION DYES FOR PROTECTING HUMAN SKIN FROM BROWNING AND AGEING CIBA HOLDING INC. (CH) 2007-06-28 WO disclosed
US-20060018846-A1 Animo substituted hydroxyphenyl benzophenone derivatives CIBA SPECIALTY CHEMICALS CORP. 2006-01-26 US disclosed
EP-1606270-A2 SYMMETRICAL TRIAZINE DERIVATIVES Ciba SC Holding AG (CH) 2005-12-21 EP disclosed
US-20050255055-A1 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed
EP-1569893-A2 AMINO SUBSTITUTED HYDROXYPHENYL BENZOPHENONE DERIVATIVES Ciba SC Holding AG (CH) 2005-09-07 EP disclosed
EP-1549283-A1 MEROCYANINE DERIVATIVES FOR COSMETIC USE Ciba SC Holding AG (CH) 2005-07-06 EP disclosed
WO-2004085412-A2 SYMMETRICAL TRIAZINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-10-07 WO disclosed
US-20040191191-A1 Symmetrical triazine derivatives CIBA SPECIALTY CHEMICALS CORP. 2004-09-30 US disclosed
WO-2004052837-A2 AMINO SUBSTITUTED HYDROXYPHENYL BENZOPHENONE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-24 WO disclosed
WO-2004006878-A1 MEROCYANINE DERIVATIVES FOR COSMETIC USE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-22 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-11679069-B2 Cosmetic or dermatological composition comprising a merocyanine and an oily phase comprising at least one alkyl or alkylene carbonate KRT18, DSG1, CUTA ALDH1A1 2416/4885GAA 1631/4885MGAM 2651/4885
US-20210251868-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A MEROCYANINE AND AN OILY PHASE COMPRISING AT LEAST ONE ALKYL OR ALKYLENE CARBONATE KRT18, DSC1, DSG1 ALDH1A1 1438/4885GAA 1864/4885MGAM 2840/4885
US-20220047483-A1 MICRO-PARTICULATE ORGANIC UV ABSORBER COMPOSITION MCM4, UGT1A4, CCNB1 ALDH1A1 454/4885GAA 2584/4885MGAM 2429/4885
US-20040191191-A1 Symmetrical triazine derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RNF168, CYC1 ALDH1A1 235/4885GAA 4478/4885MGAM 4599/4885
US-20060018846-A1 Animo substituted hydroxyphenyl benzophenone derivatives C5, C9, C1S ALDH1A1 478/4885GAA 4775/4885MGAM 4873/4885
US-20050255055-A1 Merocyanine derivatives for cosmetic use C5, MSH6, C1R ALDH1A1 2182/4885GAA 4544/4885MGAM 4723/4885

“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.