SCHEMBL21628488

SCHEMBL21628488

COC(=O)c1cnc(Oc2ccc(C3CCCCC3)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
STAT3 P40763 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
NAMPT P43490 1/20 0.38
DEGS1 O15121 1/20 0.38
PROKR1 Q8TCW9 2/20 0.38
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.38
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL21628383 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPTALOX5APFEN1
SCHEMBL21628687 0.99 ALOX5AP (0.43) SMN1; SMN2ALDH1A1MAPTALOX5APFEN1
SCHEMBL21628393 0.97 ALOX5AP (0.45) SMN1; SMN2ALDH1A1MAPTALOX5APFEN1
SCHEMBL21628578 0.94 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL21628680 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTHAO1L3MBTL1
SCHEMBL21628597 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPTHAO1L3MBTL1
SCHEMBL21628435 0.88 SCN9A (0.45) SMN1; SMN2STAT3HAO1NAMPTDEGS1
SCHEMBL21628784 0.88 SCN9A (0.45) SMN1; SMN2STAT3HAO1NAMPTDEGS1
SCHEMBL20482060 0.87 KMT2A (0.45) SMN1; SMN2ALDH1A1ALOX5APFEN1STAT3
SCHEMBL21628889 0.87 KMT2A (0.45) SMN1; SMN2ALDH1A1ALOX5APFEN1STAT3

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

“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.