SCHEMBL5866499

SCHEMBL5866499

O=C(O)c1cccc2c1sc1c(C(=O)O)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
CDC25B P30305 2/20 0.47
TSHR P16473 1/20 0.43
PRNP P04156 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HMGB1 P09429 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 1/20 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
SCHEMBL31083578 1.00 NR4A1 (0.54) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL30944689 0.86 PRNP (0.51) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL4935698 0.86 PRNP (0.51) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL28967943 0.82 PRNP (0.48) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL6233778 0.81 NR4A1 (0.44) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL11810899 0.79 PTPN1 (0.49) NR4A1NR4A2NR4A3CDC25BTSHR
SCHEMBL25234206 0.78 NR4A1 (0.42) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL300219 0.78 ALDH1A1 (0.48) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL352056 0.78 GPR35 (0.43) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL31626799 0.78 ALDH1A1 (0.48) NR4A1NR4A2NR4A3ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022255235-A1 METAL ORGANIC STRUCTURE, GAS-STORING AGENT COMPRISING SAME, AND GAS STORAGE METHOD USING SAME 学校法人立教学院 2022-12-08 WO disclosed
US-7018685-B2 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2006-03-28 US disclosed
US-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2004-07-01 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-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures AFF1, AFF2, FLI1 NR4A1 902/4885NR4A2 1787/4885NR4A3 2159/4885

“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.