SCHEMBL18117012

SCHEMBL18117012

O=C(C/C=C/CC(=O)On1ccccc1=S)On1ccccc1=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ LOX P28300 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ LOXL3 P58215 1/20 0.37
▸ LOXL4 Q96JB6 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CA3 P07451 1/20 0.32

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
SCHEMBL18840226 0.84 RAB9A (0.41) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116961 0.84 ESR1 (0.41) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840212 0.81 ESR1 (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116933 0.81 ESR1 (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL13390203 0.81 RAB9A (0.38) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116956 0.80 ALDH1A1 (0.43) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840224 0.80 ESR1 (0.37) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18116921 0.80 ESR1 (0.37) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840216 0.80 ESR1 (0.37) ESR1HSP90AA1MMP3CHRM1TBXA2R
SCHEMBL18840200 0.80 ESR1 (0.37) ESR1HSP90AA1MMP3CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287419-B2 Rubber composition and vulcanization aid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-14 — — US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 — — US disclosed
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 — — US disclosed
EP-3075777-A1 RUBBER COMPOSITION AND VULCANIZATION AID Sumitomo Chemical Company Limited (JP) 2016-10-05 — — 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-10287419-B2 Rubber composition and vulcanization aid CCNA1, RCN1, RER1 ESR1 35/4885HSP90AA1 1413/4885MMP3 3678/4885
US-20170130028-A1 RUBBER COMPOSITION AND VULCANIZATION AID CCNA1, RCN1, RER1 ESR1 35/4885HSP90AA1 1413/4885MMP3 3678/4885

“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.

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