SCHEMBL22137286

SCHEMBL22137286

CCOC(=O)c1[nH]c(C)c(C(C)=O)c1CCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 3/20 0.55
HPGD P15428 4/20 0.54
XBP1 P17861 1/20 0.52
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
EP300 Q09472 1/20 0.46
CREBBP Q92793 1/20 0.46

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
SCHEMBL8204552 0.84 BRD4 (0.62) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL22137275 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL1450411 0.78 HPGD (0.80) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL22137301 0.77 RAB9A (0.59) ALDH1A1MAPK1CYP2C9L3MBTL1MAPT
SCHEMBL1126546 0.75 HPGD (0.64) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL2150867 0.74 CYP1A2 (0.68) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL13925261 0.72 CYP1A2 (0.44) ALDH1A1MAPK1HPGDCYP1A2CYP2C9
SCHEMBL26088749 0.71 HPGD (0.56) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL5203823 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1HPGDXBP1CYP1A2
SCHEMBL69310 0.71 HPGD (1.00) ALDH1A1MAPK1HPGDXBP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898587-B1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS UNIV FREIBURG ALBERT LUDWIGS (DE) 2024-06-26 EP disclosed
EP-3898587-B1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS UNIV FREIBURG ALBERT LUDWIGS (DE) 2024-06-26 EP disclosed
US-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWING UNIV FREIBURG (DE) 2022-02-24 US disclosed
US-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWING UNIV FREIBURG (DE) 2022-02-24 US disclosed
WO-2020127846-A9 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2021-08-12 WO disclosed
WO-2020127846-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2020-06-25 WO 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-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD2 ALDH1A1 3347/4885MAPK1 1111/4885HPGD 813/4885

“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.