SCHEMBL21628678

SCHEMBL21628678

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
F10 P00742 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RX3 P56373 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL21628397 0.91 MAOB (0.48) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628567 0.91 MAOB (0.57) MAOBPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL21628758 0.89 MAOB (0.46) MAOBF10S1PR1S1PR3POLB
SCHEMBL20827025 0.89 MAOB (0.47) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628631 0.88 MAOB (0.46) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628867 0.87 LMNA (0.49) MAOBL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL21628706 0.87 MAOB (0.45) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628659 0.86 MAOB (0.52) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628642 0.85 MAOB (0.48) MAOBF10S1PR1S1PR3POLB
SCHEMBL21628893 0.83 PTGER4 (0.45)

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 6 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-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 (4 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 MAOB 2399/4885F10 1456/4885S1PR1 3184/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885F10 1408/4885S1PR1 3152/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885F10 1408/4885S1PR1 3152/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885F10 1408/4885S1PR1 3152/4885

“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.