SCHEMBL21628698

SCHEMBL21628698

CCCCCCc1ccc(Oc2ncc(C(=O)NC)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.48
PLA2G4A P47712 1/20 0.46
RARB P10826 3/20 0.44
SMPD1 P17405 1/20 0.43
TRPV1 Q8NER1 7/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
PLK3 Q9H4B4 2/20 0.42
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41

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
SCHEMBL21628857 0.99 PLK1 (0.49) PLK1PLA2G4ARARBSMPD1TRPV1
SCHEMBL29921175 0.99 PLK1 (0.49) PLK1PLA2G4ARARBSMPD1TRPV1
SCHEMBL21628837 0.96 PLK1 (0.53) PLK1PLA2G4ATRPV1OPRM1OPRD1
SCHEMBL21628415 0.92 SMPD1 (0.53) PLK1RARBSMPD1TRPV1PLK3
SCHEMBL21628686 0.91 PLK1 (0.51) PLK1OPRM1OPRD1
SCHEMBL21628883 0.90 SMPD1 (0.52) RARBSMPD1TRPV1
SCHEMBL21628473 0.88 MAPT (0.49) PLK1PLA2G4ARARBSMPD1PLK3
SCHEMBL21628429 0.88 RARB (0.55) PLA2G4ARARBRARARARG
SCHEMBL21628665 0.87 SMPD1 (0.47) PLK1SMPD1TRPV1
SCHEMBL21628454 0.87 ICAM1 (0.49) PLA2G4ARARBOPRM1OPRD1RARA

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 PLK1 3032/4885PLA2G4A 4624/4885RARB 1144/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885PLA2G4A 4624/4885RARB 1144/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLK1 2623/4885PLA2G4A 4706/4885RARB 1064/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885PLA2G4A 4624/4885RARB 1144/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLK1 3885/4885PLA2G4A 4521/4885RARB 1531/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885PLA2G4A 4624/4885RARB 1144/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885PLA2G4A 4624/4885RARB 1144/4885

“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.