SCHEMBL23352172

SCHEMBL23352172

CC(C(=O)O)c1c(O)cccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
CA12 O43570 3/20 0.45
CA7 P43166 3/20 0.45
CA14 Q9ULX7 3/20 0.45
PTGS1 P23219 7/20 0.43
CXCR1 P25024 4/20 0.43
CXCR2 P25025 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
HIF1A Q16665 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
PMP22 Q01453 2/20 0.43
SLC22A6 Q4U2R8 2/20 0.43

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
SCHEMBL3432503 0.83 ERN1 (0.48) PTGS2CA1CA2CA9CA12
Acetic Acid SCHEMBL28992429 0.77 THRB (0.48) CA1CA2CA9CA12CA7
SCHEMBL7102472 0.77 PTGS2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL28195583 0.77 PTGS2 (0.40) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL4175255 0.77 CA1 (0.50) PTGS2CA1CA2CA9CA12
SCHEMBL490576 0.77 PTGS2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL19444465 0.76 CA2 (0.48) CA1CA2CA9CA12CA7
SCHEMBL15645990 0.76 CES2 (0.47) PTGS2PTGS1CXCR1CXCR2MAPT
SCHEMBL153695 0.76 PTGS2 (0.59) PTGS2CA1CA2CA9CA12
SCHEMBL15645912 0.76 CES2 (0.47) PTGS2PTGS1CXCR1CXCR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586497-B Preparation method of printing ink based on amino-terminated hyperbranched polyamide 江苏众立生包装科技有限公司 2024-05-03 CN claimed
CN-117586497-A Preparation method of printing ink based on amino-terminated hyperbranched polyamide 江苏众立生包装科技有限公司 2024-02-23 CN claimed
CN-117586497-B Preparation method of printing ink based on amino-terminated hyperbranched polyamide 江苏众立生包装科技有限公司 2024-05-03 CN disclosed
CN-117586497-A Preparation method of printing ink based on amino-terminated hyperbranched polyamide 江苏众立生包装科技有限公司 2024-02-23 CN disclosed
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 US disclosed
CN-1412181-A Carboxylic acid derivatives inhibiting the binding of integrins to their receptors TEXAS BIOTECHNOLOGIES CORP (US) 2003-04-23 CN disclosed
CN-1360498-A Carboxylic acid derivs. that inhibit binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORP (US) 2002-07-24 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 (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-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST PTGS2 4096/4885CA1 1399/4885CA2 1958/4885

“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.