SCHEMBL7747599

SCHEMBL7747599

CCCC(=O)O[C@H]1CCOC1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NTSR1 P30989 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL7746309 1.00 MAPK1 (0.52) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7742216 0.90 CYP1A2 (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7749487 0.90 CYP1A2 (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7747633 0.90 CYP1A2 (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7747870 0.89 NAAA (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7747626 0.89 NAAA (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7746333 0.89 NAAA (0.50) MAPK1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL7742209 0.88 NAAA (0.53)
SCHEMBL7742205 0.88 NAAA (0.53)
SCHEMBL7746325 0.88 NAAA (0.53)

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
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2022-02-15 US disclosed
US-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-16 US disclosed
WO-2017190116-A1 SYNTHETIC LIGANDS THAT MODULATE THE ACTIVITY OF THE RHLR QUORUM SENSING RECEPTOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-11-02 WO disclosed
WO-2001018231-A2 METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE LONZA AG (CH) 2001-03-15 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 (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-20190144407-A1 Synthetic Ligands that Modulate the Activity of the RhlR Quorum Sensing Receptor AREG, QRFPR, GPR139 MAPK1 2656/4885CYP1A2 3996/4885CYP2C19 3620/4885
US-11247976-B2 Synthetic ligands that modulate the activity of the RhlR quorum sensing receptor AREG, QRFPR, GPR139 MAPK1 2656/4885CYP1A2 3996/4885CYP2C19 3620/4885

“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.