SCHEMBL21628869

SCHEMBL21628869

CCOC(=O)c1cnc(Oc2ccc(C3CC3)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
PDE4B Q07343 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX3 P56373 1/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL21628453 0.96 MAPT (0.43) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21628556 0.96 MAPT (0.41) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21628597 0.95 ALDH1A1 (0.45) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21628680 0.95 ALDH1A1 (0.45) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21628578 0.87 ALOX5AP (0.40) LMNATSHRMAPK1NPSR1ACACB
SCHEMBL21628659 0.86 MAOB (0.52) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21628642 0.85 MAOB (0.48) MAOBMAPTLMNACYP1A2POLB
SCHEMBL21656920 0.85 SLC6A3 (0.37) MAOBLMNACYP1A2POLBCYP2C9
SCHEMBL21628617 0.83 MRGPRX4 (0.46)
SCHEMBL21628687 0.83 ALOX5AP (0.43) MAPTLMNAALDH1A1SMN1; SMN2

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 8 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-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 (6 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 MAOB 2110/4885MAPT 2272/4885LMNA 3327/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885MAPT 2272/4885LMNA 3327/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAOB 2399/4885MAPT 2195/4885LMNA 3083/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885MAPT 2272/4885LMNA 3327/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885MAPT 2272/4885LMNA 3327/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885MAPT 2272/4885LMNA 3327/4885

“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.