SCHEMBL207631

SCHEMBL207631

O=S(=O)(O)CCCN1CCN(CCO)CC1.O=S(=O)(O)CCN1CCN(CCO)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
APP P05067 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
DRD1 P21728 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL98490 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EAPPCHRM2CHRM1
SCHEMBL1170638 0.94 ALDH1A1 (0.42) ALDH1A1KDM4EAPPCHRM2CHRM1
Water SCHEMBL29233228 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EAPPCHRM2CHRM1
SCHEMBL9493022 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EAPPCHRM2CHRM1
Water SCHEMBL15641777 0.92 ALDH1A1 (0.44) ALDH1A1KDM4EAPPCHRM2CHRM1
SCHEMBL2417 0.92 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL2229127 0.92 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL9790 0.92 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL164218 0.92 KDM4E (0.59) ALDH1A1KDM4EHRH3SMN1; SMN2KMT2A
SCHEMBL516054 0.92 KDM4E (0.59) ALDH1A1KDM4EHRH3SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088399-B2 Ascorbic acid, ceramide precursor is 6-hydroxy-4-sphingenine base; cosmetic treatment of a subject whose lips are affected by chapping and/or cracks and/or bleeding associated with or not associated with scales and/or dry plaques and/or feeling of discomfort and/or tightness and/or smarting L'OREAL (FR) 2012-01-03 US disclosed
US-20110256192-A1 PHOTOPROTECTIVE COMPOSITION CONTAINING AN UNMODIFIED GELLING STARCH AND POLYAMIDE PARTICLES L'OREAL (FR) 2011-10-20 US disclosed
EP-2370179-A1 PHOTOPROTECTIVE COMPOSITION CONTAINING AN UNMODIFIED GELLING STARCH AND POLYAMIDE PARTICLES L'Oréal (FR) 2011-10-05 EP disclosed
US-20110027202-A1 FLUID OIL-IN-WATER SUNSCREEN EMULSIONS CONTAINING GEMINI SURFACTANTS AND A CROSSLINKED COPOLYMER OF METHACRYLIC ACID AND OF C1-C4 ALKYL ACRYLATE L'OREAL (FR) 2011-02-03 US disclosed
US-20110015463-A1 APPLICATOR AND A SET INCLUDING SUCH AN APPLICATOR L'OREAL (FR) 2011-01-20 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 (1 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-20110027202-A1 FLUID OIL-IN-WATER SUNSCREEN EMULSIONS CONTAINING GEMINI SURFACTANTS AND A CROSSLINKED COPOLYMER OF METHACRYLIC ACID AND OF C1-C4 ALKYL ACRYLATE C1S, TP53, CDC25C ALDH1A1 773/4885KDM4E 4867/4885APP 1683/4885

“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.