SCHEMBL13990449

SCHEMBL13990449

O=C(O)c1cccc(-c2ccc(C(=O)O)c3oc4c(C(=O)O)cccc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.47
▸ DDT P30046 1/20 0.45
▸ PTPN1 P18031 3/20 0.43
▸ PTPRF P10586 2/20 0.43
▸ PTPN2 P17706 2/20 0.43
▸ KMO O15229 1/20 0.43
▸ PTPN11 Q06124 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ TYMS P04818 1/20 0.40
▸ MYC P01106 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.39

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
SCHEMBL13990442 0.88 DHODH (0.48) FOLH1PTPN1PTPRFPTPN2TYMS
SCHEMBL13990447 0.86 DCLRE1B (0.44) TYMSL3MBTL1DHODHCYSLTR1
SCHEMBL13990446 0.86 GPR35 (0.51) KMOTYMSKDM4EALDH1A1DHODH
SCHEMBL13990441 0.83 MCL1 (0.45) PTPN1PTPN2KMOPTPN11KDM4E
SCHEMBL13990443 0.82 TYMS (0.40) PTPN1PTPRFPTPN2TYMSDHODH
SCHEMBL13990444 0.82 GPR35 (0.41) PTPN1PTPRFPTPN2TYMSDHODH
SCHEMBL13990445 0.79 RXRA (0.44) TYMSKDM4EALDH1A1DHODHAKR1C3
SCHEMBL13990450 0.77 MCL1 (0.45) PTPN1PTPRFPTPN2TYMSMYC
SCHEMBL13990425 0.76 AKR1C3 (0.56) MYCL3MBTL1AKR1C3AKR1C2
SCHEMBL13990448 0.75 GPR35 (0.46) TYMSKDM4EALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US 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-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB FOLH1 2132/4885DDT 87/4885PTPN1 3112/4885

“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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