SCHEMBL13990451

SCHEMBL13990451

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3ccccc3Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 3/20 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
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ C1R P00736 1/20 0.39
▸ PBRM1 Q86U86 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NR4A1 P22736 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
SCHEMBL13990448 0.84 GPR35 (0.46) TYMSALDH1A1HSD17B10KDM4EPOLB
SCHEMBL13990442 0.83 DHODH (0.48) TYMSALDH1A1MEN1KMT2ANPSR1
SCHEMBL13990443 0.80 TYMS (0.40) TYMSTTRDHODHCYSLTR1HSP90AA1
SCHEMBL13990447 0.79 DCLRE1B (0.44) TYMSTSHRL3MBTL1DHODHCYSLTR1
SCHEMBL10949940 0.76 HSD17B10 (0.50) TYMSALDH1A1HSD17B10NR4A1NR4A2
SCHEMBL13990444 0.75 GPR35 (0.41) TYMSMEN1KMT2ANR4A1NR4A2
SCHEMBL13990449 0.75 FOLH1 (0.47) TYMSALDH1A1KDM4EPOLBTDP1
SCHEMBL10949915 0.74 NR4A1 (0.47) TYMSALDH1A1HSD17B10KDM4EPOLB
SCHEMBL13990446 0.74 GPR35 (0.51) TYMSALDH1A1MEN1KMT2AHSD17B10
SCHEMBL69699 0.74 NR4A1 (0.54) TYMSALDH1A1TSHRKDM4ETDP1

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 TYMS 259/4885ALDH1A1 525/4885TSHR 1379/4885

“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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