SCHEMBL13118050

SCHEMBL13118050

[C-]#[N+]c1cc(-c2nccc(C(=O)O)c2F)ccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.39
▸ TRPV1 Q8NER1 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ DHODH Q02127 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ APP P05067 1/20 0.36
▸ NR1H4 Q96RI1 4/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL13118031 0.89 KDM4E (0.42) AKR1C2AKR1C1KDM4EASPHKDM8
SCHEMBL13118051 0.83 AKR1C2 (0.42) AKR1C2AKR1C1TRPV1KDM5AKDM4C
SCHEMBL14184585 0.82 XDH (0.45) AKR1C2AKR1C3TRPV1
SCHEMBL12126160 0.82 KDM4E (0.42) KDM4EASPHKDM8MAP3K5KDM5A
SCHEMBL13108539 0.79 ALDH1A1 (0.41) KDM4EASPHKDM8KDM5AKDM5B
SCHEMBL13108535 0.75 KDM4E (0.38) AKR1C2AKR1C1KDM4EASPHKDM8
SCHEMBL13108552 0.72 GAA (0.41) KDM4EASPHKDM8ALDH1A1
SCHEMBL12126242 0.70 AKR1C2 (0.37) AKR1C2AKR1C3AKR1C1KDM5AKDM4C
SCHEMBL13004322 0.69 XDH (0.48) KDM4EASPHKDM8ALDH1A1
SCHEMBL13004332 0.69 KDM4E (0.41) AKR1C2AKR1C3TRPV1KDM4EALDH1A1

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-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 — — US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 — — 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA AKR1C2 109/4885AKR1C3 89/4885AKR1C1 143/4885

“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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