SCHEMBL21628636

SCHEMBL21628636

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR1 O43613 1/20 0.41
HSD17B2 P37059 1/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
IGFBP3 P17936 1/20 0.40
GAA P10253 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39

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
SCHEMBL21628422 0.91 IGFBP3 (0.42) MAPTKDM4ECA12CA1CA2
SCHEMBL21656741 0.90 MAPT (0.49) MAPTKDM4ECA12CA1CA2
SCHEMBL21628863 0.88 MAPT (0.41) MAPTKDM4ECA12CA1CA2
SCHEMBL19357358 0.88 ALDH1A1 (0.50) MAPTKDM4ECA12CA1CA2
SCHEMBL21628575 0.87 MAPT (0.40) MAPTKDM4ECA12CA1CA2
SCHEMBL21628850 0.86 ALDH1A1 (0.51) MAPTKDM4ECA1CA2MAPK1
SCHEMBL21628759 0.86 NPC1 (0.47) MAPTKDM4ECA12CA1CA2
SCHEMBL21628569 0.85 IGFBP3 (0.48) MAPTKDM4ECA12CA1CA2
SCHEMBL21656493 0.85 CA12 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL21628653 0.84 CA12 (0.47) MAPTKDM4ECA12CA1CA2

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 7 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-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 (5 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 MAPT 2272/4885KDM4E 143/4885CA12 4724/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAPT 2195/4885KDM4E 152/4885CA12 4677/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885CA12 4724/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885CA12 4724/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAPT 2272/4885KDM4E 143/4885CA12 4724/4885

“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.