SCHEMBL2837669

SCHEMBL2837669

CCCCCOC1=C(c2ccccc2)C(=O)NC1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.58
▸ PTGS2 P35354 5/20 0.44
▸ LTA4H P09960 1/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL27804436 0.90 GSK3B (0.47) PTPN1PTGS2GSK3BTP53
SCHEMBL9360541 0.87 PTGS2 (0.49) PTPN1PTGS2GSK3B
SCHEMBL10886758 0.83 PTPN1 (0.52) PTPN1LTA4HMMP2MMP9SOAT1
SCHEMBL3671032 0.75 PTGS2 (0.44) PTPN1PTGS2GSK3BMMP2MMP9
SCHEMBL11331340 0.75 PTPN1 (0.58) PTPN1LTA4HSOAT1CNR2TP53
SCHEMBL211025 0.74 PDE4B (0.59) PTGS2GSK3BTP53CYP3A4LMNA
SCHEMBL1817005 0.74 PTGS2 (0.46) PTPN1PTGS2GSK3BMMP2MMP9
SCHEMBL27825209 0.73 GSK3B (0.42) PTGS2GSK3B
SCHEMBL9436192 0.73 GSK3B (0.42) PTGS2GSK3B
SCHEMBL3719735 0.73 PTGS2 (0.51) PTGS2GSK3BMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130299747-A1 CURATIVES FOR EPOXY COMPOSITIONSERS DESIGNER MOLECULES, INC. 2013-11-14 — — US disclosed
US-20130199724-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2013-08-08 — — US disclosed
US-8431655-B2 Curatives for epoxy compositions DESIGNER MOLECULES, INC. (US) 2013-04-30 — — US disclosed
US-20100249276-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2010-09-30 — — US disclosed
US-20100113643-A1 CURATIVES FOR EPOXY ADHESIVE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2010-05-06 — — US disclosed
WO-2008124797-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2008-10-16 — — WO disclosed
CN-100412161-C Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2008-08-20 — — CN disclosed
CN-100344731-C Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2007-10-24 — — CN disclosed
CN-1721502-A Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2006-01-18 — — CN disclosed
CN-1408817-A Liquid crystal aligning agent and liquid crystal display element JSR CORP (JP) 2003-04-09 — — CN 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-20100249276-A1 CURATIVES FOR EPOXY COMPOSITIONS ALOX5, LTC4S, ALOX15B PTPN1 4703/4885PTGS2 56/4885LTA4H 24/4885
US-20100113643-A1 CURATIVES FOR EPOXY ADHESIVE COMPOSITIONS ALOX5, LTC4S, ALOX15B PTPN1 4776/4885PTGS2 86/4885LTA4H 10/4885

“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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