SCHEMBL21628809

SCHEMBL21628809

CCCCCc1ccc(Oc2ccc(C(=O)OCC)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
RARB P10826 1/20 0.47
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 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
SCHEMBL21628566 0.99 RARB (0.49) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL20482319 0.96 S1PR1 (0.51) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL21628676 0.92 CA12 (0.43) S1PR1S1PR3LPAR1LPAR5
SCHEMBL21628576 0.89 MDH1 (0.52) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL21628573 0.88 MDH1 (0.51) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL21628653 0.88 CA12 (0.47) LPAR1LPAR5
SCHEMBL21628540 0.87 RARB (0.62) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL21628866 0.86 RARB (0.65) RARBLPAR1LPAR5
SCHEMBL21628639 0.86 S1PR1 (0.52) S1PR1S1PR3RARBLPAR1LPAR5
SCHEMBL21628589 0.86 S1PR1 (0.52) S1PR1S1PR3RARBLPAR1LPAR5

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 2888/4885RARB 1144/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885RARB 1144/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK S1PR1 3184/4885S1PR3 2958/4885RARB 1064/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885RARB 1144/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR S1PR1 1335/4885S1PR3 1310/4885RARB 1531/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885RARB 1144/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885RARB 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.