SCHEMBL7047669

SCHEMBL7047669

COC(=O)c1cc2c([nH]1)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.55
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.46
USP2 O75604 1/20 0.42
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
XDH P47989 2/20 0.39
HTT P42858 1/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL21975324 0.98 HRH4 (0.54) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15101736 0.98 HRH4 (0.54) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1392811 0.82 HRH4 (0.51) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21310107 0.81 HRH4 (0.50) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22509467 0.81 HRH4 (0.50) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24851409 0.81 HRH4 (0.50) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17575660 0.81 HRH4 (0.50) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10263261 0.80 HRH4 (0.59) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24019697 0.80 HRH4 (0.52) HRH4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18044712 0.80 KDM4E (0.66) HRH4ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111222-A1 AMIDE DERIVATIVE SERVING AS PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST, AND USE THEREOF 安润医药科技(苏州)有限公司 2022-06-02 WO disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 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 (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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI HRH4 4438/4885ALDH1A1 210/4885KDM4E 2289/4885

“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.