SCHEMBL21628555

SCHEMBL21628555

COC(=O)c1cnc(Oc2ccc(C(C)C)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.44
PTGER2 P43116 2/20 0.44
NPBWR1 P48145 2/20 0.41
MCHR1 Q99705 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LTA4H P09960 2/20 0.38
KCNH2 Q12809 1/20 0.38
DPP4 P27487 2/20 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
SCHEMBL21628800 0.87 PTGER4 (0.51) PTGER4PTGER2LTA4HKCNH2
SCHEMBL21628788 0.87 S1PR1 (0.48) PTGER4PTGER2NPBWR1RAB9ALMNA
SCHEMBL21656919 0.87 LMNA (0.43) PTGER4PTGER2LMNAMAPK1KMT2A
SCHEMBL21628592 0.87 PTGER4 (0.45) PTGER4PTGER2LMNAMAPTMAPK1
SCHEMBL21628630 0.86 HDAC6 (0.49) PTGER4PTGER2SCN9A
SCHEMBL21628727 0.86 PTGER4 (0.46) PTGER4PTGER2SCN9A
SCHEMBL21628836 0.86 ICAM1 (0.44) PTGER4PTGER2ALDH1A1KMT2ALTA4H
SCHEMBL29920978 0.86 ICAM1 (0.44) PTGER4PTGER2ALDH1A1KMT2ALTA4H
SCHEMBL21628625 0.86 TDP1 (0.46) PTGER4LMNAMAPTMAPK1ALDH1A1
SCHEMBL21628731 0.84 HPGD (0.43) PTGER4PTGER2RAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885NPBWR1 4149/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885NPBWR1 4149/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PTGER4 4252/4885PTGER2 4166/4885NPBWR1 4207/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885NPBWR1 4149/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PTGER4 3926/4885PTGER2 3679/4885NPBWR1 1790/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885NPBWR1 4149/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885NPBWR1 4149/4885

“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.