SCHEMBL21628541

SCHEMBL21628541

COC(=O)c1cnc(Oc2ccc(C3CC4CCC3CC4)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.43
SLC6A4 P31645 6/20 0.39
LMNA P02545 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
MAOB P27338 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34
HIF1A Q16665 1/20 0.33
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21656880 0.95 SLC6A3 (0.47) SLC6A3SLC6A4LMNAALOX5APFEN1
SCHEMBL21628828 0.95 SLC6A3 (0.47) SLC6A3SLC6A4LMNAALOX5APFEN1
SCHEMBL21656920 0.89 SLC6A3 (0.37) SLC6A3LMNAMAOB
SCHEMBL21657049 0.89 SLC6A3 (0.40) SLC6A3SLC6A4
SCHEMBL21628600 0.89 SLC6A3 (0.38) SLC6A3SLC6A4FEN1KDM1A
SCHEMBL21656944 0.88 HDAC6 (0.39) SLC6A3SLC6A4KDM1A
SCHEMBL21628657 0.88 SLC6A3 (0.38) SLC6A3SLC6A4FEN1
SCHEMBL21656788 0.87 SLC6A3 (0.38) SLC6A3SLC6A4KDM1A
SCHEMBL21628578 0.84 ALOX5AP (0.40) SLC6A3LMNAALOX5APFEN1
SCHEMBL21656650 0.83 SLC6A3 (0.42) SLC6A3SLC6A4KDM1A

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-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-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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885LMNA 3327/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SLC6A3 4040/4885SLC6A4 3517/4885LMNA 3083/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885LMNA 3327/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885LMNA 3327/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885SLC6A4 3395/4885LMNA 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.