SCHEMBL29920889

SCHEMBL29920889

CCCCCCc1ccc(Oc2ccc(C(=O)N(C)C)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.51
▸ LPAR1 Q92633 3/20 0.49
▸ LPAR5 Q9H1C0 3/20 0.49
▸ RARB P10826 1/20 0.49
▸ S1PR1 P21453 1/20 0.47
▸ S1PR3 Q99500 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47

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
SCHEMBL21628502 1.00 PLA2G4A (0.51) PLA2G4ALPAR1LPAR5RARBS1PR1
SCHEMBL21628516 0.99 LPAR1 (0.50) PLA2G4ALPAR1LPAR5RARBS1PR1
SCHEMBL21628432 0.95 LPAR1 (0.51) PLA2G4ALPAR1LPAR5RARBS1PR1
SCHEMBL21628398 0.91 SLC6A2 (0.50) LPAR1LPAR5S1PR1S1PR3SLC6A2
SCHEMBL21628866 0.87 RARB (0.65) LPAR1LPAR5RARB
SCHEMBL21657028 0.86 ICAM1 (0.52) PLA2G4ARARBS1PR1S1PR3
SCHEMBL21628540 0.86 RARB (0.62) LPAR1LPAR5RARBS1PR1S1PR3
SCHEMBL21628585 0.86 SLC6A2 (0.55) LPAR1LPAR5SLC6A2SLC6A4
SCHEMBL21628573 0.85 MDH1 (0.51) LPAR1LPAR5RARBS1PR1S1PR3
SCHEMBL21628639 0.85 S1PR1 (0.52) PLA2G4ALPAR1LPAR5RARBS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 — — 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885LPAR1 3936/4885LPAR5 4070/4885

“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.

Send feedback