SCHEMBL21628680

SCHEMBL21628680

CCOC(=O)c1cnc(Oc2ccc(C3CCCCCC3)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAOB P27338 3/20 0.38
LMNA P02545 4/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 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
SCHEMBL21628597 1.00 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2MAOBLMNA
SCHEMBL21628453 0.99 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2MAOBLMNA
SCHEMBL21628556 0.97 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2MAOBLMNA
SCHEMBL21628869 0.95 MAOB (0.40) ALDH1A1MAPTSMN1; SMN2MAOBLMNA
SCHEMBL21628488 0.88 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2L3MBTL1HAO1
SCHEMBL21628383 0.88 SMN1; SMN2 (0.42) ALDH1A1MAPTSMN1; SMN2L3MBTL1HAO1
SCHEMBL21628687 0.87 ALOX5AP (0.43) ALDH1A1MAPTSMN1; SMN2LMNAHAO1
SCHEMBL21628393 0.85 ALOX5AP (0.45) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL20482060 0.85 KMT2A (0.45) ALDH1A1SMN1; SMN2POLBCYP2C9L3MBTL1
SCHEMBL21628889 0.85 KMT2A (0.45) ALDH1A1SMN1; SMN2POLBCYP2C9L3MBTL1

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 717/4885MAPT 2272/4885SMN1; SMN2 796/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885MAPT 2272/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885MAPT 2195/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885MAPT 2272/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR ALDH1A1 929/4885MAPT 4404/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885MAPT 2272/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885MAPT 2272/4885SMN1; SMN2 796/4885

“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.