SCHEMBL21628676

SCHEMBL21628676

CCCc1ccc(Oc2ccc(C(=O)OCC)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
HSD17B2 P37059 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR5 Q9H1C0 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL20482319 0.93 S1PR1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL21628809 0.92 S1PR1 (0.48) S1PR1S1PR3LPAR1LPAR5
SCHEMBL21628653 0.91 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL21628566 0.91 RARB (0.49) S1PR1S1PR3LPAR1LPAR5
SCHEMBL21628848 0.89 KMT2A (0.45) S1PR1S1PR3LPAR1LPAR5MAPT
SCHEMBL21628569 0.87 IGFBP3 (0.48) CA12CA1CA2CA7CA9
SCHEMBL21628691 0.86 LMNA (0.54) S1PR1S1PR3LPAR1LPAR5LMNA
SCHEMBL21628476 0.85 OPRK1 (0.53) S1PR1S1PR3OPRM1OPRD1OPRK1
SCHEMBL21628398 0.82 SLC6A2 (0.50) S1PR1S1PR3LPAR1LPAR5SENP8
SCHEMBL19357358 0.82 ALDH1A1 (0.50) CA12CA1CA2CA7CA9

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 CA12 4724/4885CA1 4881/4885CA2 4416/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA12 4724/4885CA1 4881/4885CA2 4416/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK CA12 4677/4885CA1 4882/4885CA2 4221/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA12 4724/4885CA1 4881/4885CA2 4416/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR CA12 1570/4885CA1 3602/4885CA2 1477/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA12 4724/4885CA1 4881/4885CA2 4416/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA12 4724/4885CA1 4881/4885CA2 4416/4885

“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.