SCHEMBL21628412

SCHEMBL21628412

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KIF11 P52732 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
FGFR2 P21802 1/20 0.45
HIF1A Q16665 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL21628831 0.89 MAPT (0.55) ALDH1A1HPGDNPSR1MAPTUSP2
SCHEMBL21628854 0.87 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1MAPTUSP2
SCHEMBL21628850 0.87 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MAPTUSP2
SCHEMBL21628770 0.87 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1MAPTUSP2
SCHEMBL19357374 0.86 RAB9A (0.56) ALDH1A1HPGDNPSR1LMNAMAPK1
SCHEMBL19357358 0.86 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL21628876 0.85 HDAC1 (0.58) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21657035 0.85 HPGD (0.54) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL29920883 0.85 HPGD (0.54) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628485 0.85 PARP10 (0.55) ALDH1A1HPGDNPSR1FGFR2KMT2A

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.