SCHEMBL21628696

SCHEMBL21628696

CCc1ccc(Oc2ccc(C(=O)NC)cc2F)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.56
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDR P35968 1/20 0.47
MMP13 P45452 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43

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
SCHEMBL21628794 0.90 PLK1 (0.58) PLK1SLC6A2SLC6A4HPGDTSHR
SCHEMBL21628403 0.90 OPRM1 (0.52) TAS1R3TAS1R1OPRM1OPRK1
SCHEMBL21628775 0.88 PLK1 (0.60) PLK1SLC6A2SLC6A4HPGDTSHR
SCHEMBL21628799 0.87 PLK1 (0.56) PLK1SLC6A2SLC6A4
SCHEMBL21628662 0.86 KMT2A (0.48) HPGDHTTSMN1; SMN2
SCHEMBL21628910 0.86 PLK1 (0.54) PLK1
SCHEMBL21656765 0.85 MMP13 (0.65) PLK1SLC6A2SLC6A4HPGDTSHR
SCHEMBL21628551 0.85 LMNA (0.56) HTT
SCHEMBL21628562 0.84 PARP10 (0.55) SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL21628653 0.83 CA12 (0.47) OPRM1OPRK1

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 3032/4885SLC6A2 2765/4885SLC6A4 3395/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885SLC6A2 2765/4885SLC6A4 3395/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLK1 2623/4885SLC6A2 3104/4885SLC6A4 3517/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885SLC6A2 2765/4885SLC6A4 3395/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLK1 3885/4885SLC6A2 4255/4885SLC6A4 4528/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885SLC6A2 2765/4885SLC6A4 3395/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLK1 3032/4885SLC6A2 2765/4885SLC6A4 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.