SCHEMBL21628446

SCHEMBL21628446

O=C(O)c1cnc(Oc2ccc(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.36
FEN1 P39748 3/20 0.36
PTGER2 P43116 2/20 0.35
PPARG P37231 2/20 0.34
LTA4H P09960 3/20 0.34
KCNH2 Q12809 1/20 0.34
ALOX5AP P20292 1/20 0.32
TEAD1 P28347 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL21628445 1.00 PTGER4 (0.36) PTGER4FEN1PTGER2PPARGLTA4H
SCHEMBL21628598 0.90 BTK (0.37) FEN1LTA4HKCNH2ALOX5AP
SCHEMBL21628601 0.90 BTK (0.37) FEN1LTA4HKCNH2ALOX5AP
SCHEMBL21628917 0.88 HIF1A (0.36) FEN1ALOX5APTEAD1
SCHEMBL21657043 0.88 HDAC6 (0.40)
SCHEMBL21628918 0.88 HIF1A (0.36) FEN1ALOX5APTEAD1
SCHEMBL21657051 0.87 ALDH1A1 (0.37)
SCHEMBL21656654 0.87 HPGDS (0.38) PTGER4
SCHEMBL21628493 0.85 MAOB (0.37)
SCHEMBL21628494 0.85 MAOB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (3 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK PTGER4 4252/4885FEN1 4128/4885PTGER2 4166/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885FEN1 4361/4885PTGER2 4323/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885FEN1 4361/4885PTGER2 4323/4885

“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.