SCHEMBL21628476

SCHEMBL21628476

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.53
OPRM1 P35372 7/20 0.53
OPRD1 P41143 7/20 0.53
PARP10 Q53GL7 2/20 0.52
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACACB O00763 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP14 Q460N5 1/20 0.42
PARP16 Q8N5Y8 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL21628641 0.92 S1PR1 (0.55) OPRK1OPRM1OPRD1PARP10S1PR1
SCHEMBL21628639 0.91 S1PR1 (0.52) OPRK1OPRM1OPRD1PARP10S1PR1
SCHEMBL21657028 0.90 ICAM1 (0.52) OPRK1OPRM1OPRD1PARP10S1PR1
SCHEMBL21628562 0.89 PARP10 (0.55) OPRK1OPRM1OPRD1PARP10SLC6A2
SCHEMBL21628691 0.88 LMNA (0.54) S1PR1S1PR3LPAR1LPAR5
SCHEMBL21628848 0.86 KMT2A (0.45) S1PR1S1PR3LPAR1LPAR5ALDH1A1
SCHEMBL20187319 0.85 PARP10 (0.56) OPRK1OPRM1OPRD1PARP10SLC6A2
SCHEMBL21628398 0.85 SLC6A2 (0.50) S1PR1S1PR3SLC6A2SLC6A4LPAR1
SCHEMBL21628794 0.85 PLK1 (0.58) OPRK1OPRM1S1PR1S1PR3SLC6A2
SCHEMBL21628676 0.85 CA12 (0.43) OPRK1OPRM1OPRD1S1PR1S1PR3

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 OPRK1 2780/4885OPRM1 3978/4885OPRD1 2899/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRK1 3124/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR OPRK1 684/4885OPRM1 817/4885OPRD1 706/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885OPRD1 2899/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRK1 2780/4885OPRM1 3978/4885OPRD1 2899/4885

“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.