SCHEMBL21628686

SCHEMBL21628686

CCCc1ccc(Oc2ncc(C(=O)NC)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.51
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGDS O60760 1/20 0.42
PTGER4 P35408 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER2 P43116 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
CSF1R P07333 2/20 0.39

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
SCHEMBL21628837 0.93 PLK1 (0.53) PLK1OPRM1OPRD1HPGDSPTGER4
SCHEMBL21628857 0.92 PLK1 (0.49) PLK1OPRM1OPRD1SMN1; SMN2
SCHEMBL29921175 0.92 PLK1 (0.49) PLK1OPRM1OPRD1SMN1; SMN2
SCHEMBL21628698 0.91 PLK1 (0.48) PLK1OPRM1OPRD1
SCHEMBL21628856 0.91 PTGER4 (0.44) PLK1OPRM1OPRD1SENP8SENP7
SCHEMBL21656917 0.91 PLK1 (0.49) PLK1OPRM1OPRD1HPGDSPTGER4
SCHEMBL21628424 0.87 VNN1 (0.42) SENP8SENP7SENP6PTGER4SMN1; SMN2
SCHEMBL21628805 0.87 PTGER4 (0.46) OPRM1OPRD1SENP8SENP7SENP6
SCHEMBL21628512 0.86 OPRM1 (0.43) OPRM1OPRD1SENP8SENP7SENP6
SCHEMBL21628665 0.84 SMPD1 (0.47) PLK1PTGER4SMN1; SMN2ALDH1A1RAB9A

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 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLK1 2623/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLK1 3885/4885OPRM1 817/4885OPRD1 706/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885OPRM1 3978/4885OPRD1 2899/4885

“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.