SCHEMBL21628641

SCHEMBL21628641

CCCCc1ccc(Oc2ccc(C(N)=O)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.55
S1PR3 Q99500 1/20 0.55
OPRK1 P41145 7/20 0.51
OPRM1 P35372 6/20 0.51
OPRD1 P41143 6/20 0.51
PARP10 Q53GL7 1/20 0.50
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
RARB P10826 1/20 0.44
MPL P40238 1/20 0.44

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
SCHEMBL21628639 0.96 S1PR1 (0.52) S1PR1S1PR3OPRK1OPRM1OPRD1
SCHEMBL21657028 0.95 ICAM1 (0.52) S1PR1S1PR3OPRK1OPRM1OPRD1
SCHEMBL21628476 0.92 OPRK1 (0.53) S1PR1S1PR3OPRK1OPRM1OPRD1
SCHEMBL21628596 0.89 RARB (0.57) S1PR1S1PR3LPAR1LPAR5RARB
SCHEMBL21628562 0.87 PARP10 (0.55) OPRK1OPRM1OPRD1PARP10ICAM1
SCHEMBL21628589 0.86 S1PR1 (0.52) S1PR1S1PR3LPAR1LPAR5RARB
SCHEMBL21628432 0.85 LPAR1 (0.51) S1PR1S1PR3LPAR1LPAR5SLC6A2
SCHEMBL21628775 0.85 PLK1 (0.60) S1PR1S1PR3LPAR1LPAR5SLC6A2
SCHEMBL21628778 0.85 SMPD1 (0.54) S1PR1S1PR3OPRK1OPRM1LPAR1
SCHEMBL20482319 0.85 S1PR1 (0.51) S1PR1S1PR3LPAR1LPAR5RARB

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 S1PR1 3152/4885S1PR3 2888/4885OPRK1 2780/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885OPRK1 2780/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK S1PR1 3184/4885S1PR3 2958/4885OPRK1 3124/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885OPRK1 2780/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR S1PR1 1335/4885S1PR3 1310/4885OPRK1 684/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885OPRK1 2780/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885OPRK1 2780/4885

“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.