SCHEMBL21628600

SCHEMBL21628600

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.38
PTGER4 P35408 8/20 0.35
SLC6A4 P31645 3/20 0.34
PTGER2 P43116 2/20 0.34
PPARG P37231 2/20 0.33
KDM1A O60341 1/20 0.33
LTA4H P09960 2/20 0.33
KCNH2 Q12809 1/20 0.33
FEN1 P39748 1/20 0.33
BTK Q06187 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
SCHEMBL21656650 0.95 SLC6A3 (0.42) SLC6A3PTGER4SLC6A4PTGER2PPARG
SCHEMBL21628657 0.90 SLC6A3 (0.38) SLC6A3SLC6A4FEN1BTK
SCHEMBL21628541 0.89 SLC6A3 (0.43) SLC6A3SLC6A4KDM1AFEN1
SCHEMBL21656944 0.89 HDAC6 (0.39) SLC6A3SLC6A4KDM1A
SCHEMBL21657049 0.88 SLC6A3 (0.40) SLC6A3SLC6A4
SCHEMBL21656788 0.88 SLC6A3 (0.38) SLC6A3SLC6A4KDM1A
SCHEMBL21656920 0.86 SLC6A3 (0.37) SLC6A3
SCHEMBL25083089 0.85 SLC6A3 (0.42) SLC6A3SLC6A4BTK
SCHEMBL21656775 0.85 SLC6A3 (0.42) SLC6A3SLC6A4BTK
SCHEMBL21628503 0.85 SLC6A3 (0.42) SLC6A3SLC6A4BTK

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 SLC6A3 4040/4885PTGER4 4252/4885SLC6A4 3517/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885PTGER4 4387/4885SLC6A4 3395/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885PTGER4 4387/4885SLC6A4 3395/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SLC6A3 3970/4885PTGER4 4387/4885SLC6A4 3395/4885

“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.