SCHEMBL13990442

SCHEMBL13990442

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.48
▸ HNF4A P41235 1/20 0.46
▸ TYMS P04818 1/20 0.45
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ GPR35 Q9HC97 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP4 P15090 1/20 0.40
▸ FABP5 Q01469 1/20 0.40

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
SCHEMBL13990449 0.88 FOLH1 (0.47) DHODHTYMSCYSLTR1TDP1KDM4E
SCHEMBL13990447 0.86 DCLRE1B (0.44) DHODHTYMSCYSLTR1L3MBTL1ALOX15
SCHEMBL13990446 0.86 GPR35 (0.51) DHODHTYMSCYSLTR1NR4A1NR4A2
SCHEMBL13990444 0.85 GPR35 (0.41) DHODHTYMSCYSLTR1NR4A1NR4A2
SCHEMBL13990443 0.85 TYMS (0.40) DHODHTYMSCYSLTR1GPR35PTPRF
SCHEMBL13990441 0.83 MCL1 (0.45) KDM4EALDH1A1ALOX15PTPN2PTPN1
SCHEMBL13990448 0.83 GPR35 (0.46) DHODHTYMSCYSLTR1NR4A1NR4A2
SCHEMBL13990451 0.83 TYMS (0.44) DHODHTYMSCYSLTR1NR4A1NR4A2
SCHEMBL3829659 0.82 TSHR (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13990445 0.82 RXRA (0.44) DHODHTYMSCYSLTR1KDM4EALDH1A1

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 DHODH 329/4885HNF4A 1122/4885TYMS 259/4885

“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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