SCHEMBL671872

SCHEMBL671872

On1ccccc1=S.On1ccccc1=S.On1ccccc1=S.[Zn].[Zn]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.95
HSP90AA1 P07900 1/20 0.95
MMP3 P08254 1/20 0.95
CHRM1 P11229 1/20 0.95
TBXA2R P21731 1/20 0.95
PTGS1 P23219 1/20 0.95
LOX P28300 1/20 0.95
ADRA1A P35348 1/20 0.95
RAB9A P51151 1/20 0.95
GFER P55789 1/20 0.95
LOXL3 P58215 1/20 0.95
LOXL4 Q96JB6 1/20 0.95
LOXL2 Q9Y4K0 1/20 0.95
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CA12 O43570 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL2039329 1.00 ESR1 (0.95) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL8333927 0.97 ESR1 (0.90) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL7054726 0.97 ESR1 (0.90) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL19900041 0.97 ESR1 (0.90) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL2427022 0.97 ESR1 (1.00) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL24755 0.97
Zinc Ion SCHEMBL22371398 0.95 ESR1 (0.86) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL1250766 0.95
SCHEMBL1253538 0.95
SCHEMBL3792130 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4025675-A1 A PERFUME OIL MIXTURE Symrise AG (DE) 2022-07-13 EP disclosed
EP-3982910-A1 A COOLING PREPARATION Symrise AG (DE) 2022-04-20 EP disclosed
EP-3941434-A1 PLANT PEPTIDES AND THEIR APPLICATIONS (II) Symrise AG (DE) 2022-01-26 EP disclosed
EP-3938055-A1 AN ANTIMICROBIAL MIXTURE Symrise AG (DE) 2022-01-19 EP disclosed
EP-3911159-A1 AN ANTIMICROBIAL MIXTURE Symrise AG (DE) 2021-11-24 EP disclosed
EP-3852713-A1 COMPOSITIONS COMPRISING ODORLESS 1,2-PENTANEDIOL Symrise AG (DE) 2021-07-28 EP disclosed
WO-2020057761-A9 COMPOSITIONS COMPRISING ODORLESS 1,2-PENTANEDIOL SYMRISE AG (DE) 2021-05-06 WO disclosed
WO-2021043585-A1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2021-03-11 WO disclosed
WO-2020249216-A1 A COOLING PREPARATION SYMRISE AG (DE) 2020-12-17 WO disclosed
WO-2020192864-A1 PLANT PEPTIDES AND THEIR APPLICATIONS (II) SYMRISE AG (DE) 2020-10-01 WO disclosed
EP-2925287-A1 HAIR CARE COMPOSITION Unilever PLC (GB) 2015-10-07 EP disclosed
US-20140303135-A1 Personal Care Compositions Having Dried Zinc Pyrithione-Polymer Aggregates THE PROCTER & GAMBLE COMPANY (US) 2014-10-09 US disclosed
WO-2014082851-A1 HAIR CARE COMPOSITION UNILEVER PLC (GB) 2014-06-05 WO disclosed
EP-2605832-A1 ANTI-DANDRUFF SHAMPOO Unilever PLC (GB) 2013-06-26 EP disclosed
EP-2605833-A1 ANTI-DANDRUFF SHAMPOO Unilever PLC (GB) 2013-06-26 EP disclosed
US-20130045263-A1 Personal Care Compositions Having Dried Zinc Pyrithione-Polymer Aggregates THE PROCTER & GAMBLE COMPANY 2013-02-21 US disclosed
WO-2012156485-A1 WEB-SHAPED FILM, METHOD FOR COATING A WATER VEHICLE, AND WATER VEHICLE OCEAN IP HOLDING UG (DE) 2012-11-22 WO disclosed
WO-2012022553-A1 ANTI-DANDRUFF SHAMPOO UNILEVER PLC (GB) 2012-02-23 WO disclosed
WO-2012022552-A1 ANTI-DANDRUFF SHAMPOO UNILEVER PLC (GB) 2012-02-23 WO disclosed
EP-1921119-B1 STAIN-PROOF COATING COMPOSITION, STAIN-PROOF COATING FILM, SUBSTRATE HAVING COATING FILM, STAIN-PROOF SUBSTRATE, METHOD FOR FORMATION OF COATING FILM ON SURFACE OF SUBSTRATE, AND METHOD FOR STAIN-PROOFING OF SUBSTRATE CHUGOKU MARINE PAINTS (JP) 2010-10-06 EP 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-20130045263-A1 Personal Care Compositions Having Dried Zinc Pyrithione-Polymer Aggregates ZNF787, SOD1, TERB1 ESR1 4728/4885HSP90AA1 2587/4885MMP3 3403/4885
US-20140303135-A1 Personal Care Compositions Having Dried Zinc Pyrithione-Polymer Aggregates ZNF787, SOD1, TERB1 ESR1 4728/4885HSP90AA1 2587/4885MMP3 3403/4885

“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.