SCHEMBL16030559

SCHEMBL16030559

O=[N+]([O-])/C(=C/c1ccccc1)CO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 8/20 0.56
▸ PRMT1 Q99873 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ G6PD P11413 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37

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
SCHEMBL4631917 1.00 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL4631916 1.00 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL23112863 0.85 FBP1 (0.61) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL8137951 0.85 FBP1 (0.61) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL4227930 0.81 FBP1 (0.42) FBP1PRMT1ALDH1A1G6PDCYP3A4
SCHEMBL4227927 0.81 FBP1 (0.42) FBP1PRMT1ALDH1A1G6PDCYP3A4
SCHEMBL4227933 0.81 FBP1 (0.42) FBP1PRMT1ALDH1A1G6PDCYP3A4
SCHEMBL9871827 0.80 FBP1 (0.56) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL11498503 0.80 FBP1 (0.51) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL11498501 0.80 FBP1 (0.51) FBP1PRMT1ALDH1A1TSHRAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117899934-A Chlorine-containing mildew amine organic porous polymer catalyst and synthetic method and application thereof 上海理工大学 2024-04-19 — — CN disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 — — EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 — — US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2970215-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-20 — — EP disclosed
WO-2014140310-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — WO disclosed
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — US disclosed
US-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-18 — — 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 (2 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-20140275086-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 FBP1 574/4885PRMT1 208/4885ALDH1A1 1275/4885
US-20140275087-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A7, GFPT1, SUGT1 FBP1 574/4885PRMT1 208/4885ALDH1A1 1275/4885

“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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