SCHEMBL22115994

SCHEMBL22115994

CCCCc1[nH]c(C(=O)O)c2c1C(=O)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.48
BRD4 O60885 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CREBBP Q92793 1/20 0.42
PTK2 Q05397 1/20 0.41
BRDT Q58F21 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL22116059 0.92 BRD4 (0.46) BRD9BRD4KDM4EALDH1A1HPGD
SCHEMBL22116021 0.85 BRD4 (0.49) BRD9BRD4KDM4EALDH1A1HPGD
1-Bromobutane SCHEMBL22116093 0.80 BRD4 (0.44) BRD9BRD4KDM4EALDH1A1HPGD
SCHEMBL22116007 0.77 BRD4 (0.51) BRD9BRD4KDM4EALDH1A1HPGD
SCHEMBL22116110 0.74 BRD4 (0.69) BRD9BRD4CREBBPPTK2BRDT
SCHEMBL18190690 0.71 ALDH1A1 (0.46) BRD4KDM4EALDH1A1HPGDCYP1A2
SCHEMBL744649 0.66 PTK2 (0.61) BRD4ALDH1A1PTK2LMNAMAPT
SCHEMBL22116063 0.63 BRD4 (0.94) BRD9BRD4KDM4EALDH1A1HPGD
SCHEMBL5349652 0.63 ALDH1A1 (0.54) BRD9KDM4EALDH1A1HPGDCYP1A2
SCHEMBL8525719 0.62 PTK2 (0.65) BRD4ALDH1A1CYP1A2CYP2C9PTK2

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 5 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
US-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWING UNIV FREIBURG (DE) 2022-02-24 US disclosed
EP-3898587-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS Albert-Ludwigs-Universität Freiburg (DE) 2021-10-27 EP 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 BRD9 14/4885BRD4 1/4885KDM4E 703/4885

“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.