SCHEMBL31210264

SCHEMBL31210264

O=C(C=Cc1ccco1)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.49
▸ MAPT P10636 8/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ HTT P42858 2/20 0.46
▸ KMT2A Q03164 10/20 0.43
▸ RAB9A P51151 10/20 0.43
▸ POLB P06746 9/20 0.43
▸ MEN1 O00255 9/20 0.43
▸ NPC1 O15118 9/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ PKM P14618 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ RECQL P46063 3/20 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
SCHEMBL31210275 1.00 PPARG (0.49) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL27511394 0.79 PPARG (0.60) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL28965839 0.79 PPARG (0.60) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL28965838 0.79 PPARG (0.60) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL1958026 0.79 PPARG (0.60) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL30155062 0.79 TAAR1 (0.39) PPARGMAPTALDH1A1KMT2AMEN1
SCHEMBL31210244 0.78 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1HTTKMT2A
SCHEMBL30401711 0.78 ALDH1A1 (0.61) MAPTALDH1A1L3MBTL1HTTKMT2A
SCHEMBL30636674 0.78 HCAR2 (0.54) PPARGMAPTALDH1A1L3MBTL1HTT
SCHEMBL9956549 0.77 ALDH1A1 (0.33) MAPTALDH1A1L3MBTL1KMT2ARAB9A

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-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 — — US claimed
US-20240409517-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-12-12 — — 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-20240409517-A1 ORGANIC COMPOUNDS HTR3C, HTR3A, H1-0 PPARG 1040/4885MAPT 1418/4885ALDH1A1 886/4885

“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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