SCHEMBL21628705

SCHEMBL21628705

COC(=O)c1ccc(Oc2ccc(C(F)(F)C(F)(F)C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.42
NOTUM Q6P988 2/20 0.41
IGFBP3 P17936 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
MET P08581 1/20 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
SCHEMBL21628909 0.96 ALDH1A1 (0.48) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628770 0.93 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628850 0.88 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628831 0.87 MAPT (0.55) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628863 0.87 MAPT (0.41) MAPTKDM4ELMNAMAPK1IGFBP3
SCHEMBL21628504 0.87 SLC6A2 (0.49) HPGDMAPTKDM4EMAPK1IGFBP3
SCHEMBL21628798 0.86 LMNA (0.49) MAPTKDM4ELMNAMAPK1IGFBP3
SCHEMBL21628736 0.85 PARP10 (0.51) ALDH1A1MAPTKDM4EIGFBP3KMT2A
SCHEMBL21628412 0.85 ALDH1A1 (0.66) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21656806 0.84 LMNA (0.56) ALDH1A1HPGDNPSR1MAPTKDM4E

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 ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885HPGD 2313/4885NPSR1 4780/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR ALDH1A1 929/4885HPGD 3694/4885NPSR1 3493/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885

“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.