SCHEMBL21628573

SCHEMBL21628573

CCCCCCc1ccc(Oc2ccc(C(=O)OC)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 2/20 0.51
RARB P10826 1/20 0.50
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
SMPD1 P17405 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL21628576 0.99 MDH1 (0.52) MDH1RARBCYP4F2CYP4A11S1PR1
SCHEMBL21628589 0.95 S1PR1 (0.52) MDH1RARBCYP4F2CYP4A11S1PR1
SCHEMBL21628848 0.90 KMT2A (0.45) MDH1CYP4F2CYP4A11S1PR1S1PR3
SCHEMBL21628566 0.90 RARB (0.49) RARBS1PR1S1PR3LPAR1LPAR5
SCHEMBL21628809 0.88 S1PR1 (0.48) RARBCYP4F2CYP4A11S1PR1S1PR3
SCHEMBL21628866 0.88 RARB (0.65) RARBLPAR1LPAR5MAPT
SCHEMBL21628910 0.87 PLK1 (0.54) RARBS1PR1S1PR3SMPD1
SCHEMBL21628733 0.87 SMPD1 (0.60) RARBS1PR1S1PR3SMPD1
SCHEMBL21628540 0.87 RARB (0.62) RARBS1PR1S1PR3LPAR1LPAR5
SCHEMBL21628662 0.86 KMT2A (0.48) LPAR1LPAR5MAPTSMN1; SMN2

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 MDH1 1376/4885RARB 1144/4885CYP4F2 1580/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MDH1 1376/4885RARB 1144/4885CYP4F2 1580/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK MDH1 1290/4885RARB 1064/4885CYP4F2 1625/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MDH1 1376/4885RARB 1144/4885CYP4F2 1580/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR MDH1 2247/4885RARB 1531/4885CYP4F2 614/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MDH1 1376/4885RARB 1144/4885CYP4F2 1580/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MDH1 1376/4885RARB 1144/4885CYP4F2 1580/4885

“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.