SCHEMBL7703229

SCHEMBL7703229

C=CCOS(=O)OCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 6/20 0.31
CA2 P00918 6/20 0.31
CA9 Q16790 6/20 0.31
EPHX2 P34913 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL7698937 0.94 TSHR (0.38) TSHRALDH1A1HPGD
SCHEMBL7704153 0.86 TSHR (0.32) TSHR
SCHEMBL776945 0.83 EPHX2 (0.42) TSHRHPGDCA1CA2CA9
SCHEMBL28888136 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL4304767 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL778726 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL4299797 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL28431774 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL28383874 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9
SCHEMBL9129611 0.81 EPHX2 (0.46) TSHRHPGDCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229121-A1 METHOD FOR PRODUCING HIGH-PURITY LITHIUM SULFIDE THROUGH WET AND DRY PROCESSES 주식회사 정석케미칼 2023-11-30 WO claimed
US-20160354342-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR. SHAHID MUSLIM D (US) 2016-12-08 US claimed
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US claimed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US claimed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 EP claimed
WO-2023229121-A1 METHOD FOR PRODUCING HIGH-PURITY LITHIUM SULFIDE THROUGH WET AND DRY PROCESSES 주식회사 정석케미칼 2023-11-30 WO disclosed
US-6403256-B1 Alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfite additive WILSON GREATBATCH LTD. 2002-06-11 US disclosed
US-6350542-B1 Sulfite additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. 2002-02-26 US disclosed
EP-1022799-A2 Sulfite additives for non-aqueous electrolyte rechargeable cells Wilson Greatbatch Limited (US) 2000-07-26 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 (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-20160354342-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR. ALAD, ALOX15B, FABP6 TSHR 1716/4885ALDH1A1 692/4885HPGD 101/4885

“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.