SCHEMBL21628485

SCHEMBL21628485

CC(C)(C)c1ccc(Oc2ccc(C(N)=O)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.55
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
OPRK1 P41145 6/20 0.47
OPRM1 P35372 5/20 0.47
OPRD1 P41143 5/20 0.47
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
PARP15 Q460N3 2/20 0.45
PARP14 Q460N5 2/20 0.45
KMT2A Q03164 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
CHEK2 O96017 1/20 0.44
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 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
SCHEMBL21628754 0.87 PARP10 (0.56) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL19357374 0.87 RAB9A (0.56) ALDH1A1HPGDNPSR1FGFR2
SCHEMBL21628416 0.87 PARP10 (0.50) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL21628412 0.85 ALDH1A1 (0.66) ALDH1A1HPGDNPSR1KMT2AFGFR2
SCHEMBL21628807 0.85 PARP10 (0.54) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL21628773 0.85 PARP10 (0.54) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL21628730 0.84 PARP10 (0.59) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL26214383 0.84 PARP10 (0.63) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL3024115 0.84 PARP10 (0.67) PARP10ALDH1A1SLC6A2SLC6A4OPRK1
SCHEMBL21628876 0.84 HDAC1 (0.58) ALDH1A1HPGDNPSR1OPRK1OPRM1

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 PARP10 1944/4885ALDH1A1 717/4885HPGD 2579/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885ALDH1A1 717/4885HPGD 2579/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PARP10 1897/4885ALDH1A1 900/4885HPGD 2313/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885ALDH1A1 717/4885HPGD 2579/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PARP10 3512/4885ALDH1A1 929/4885HPGD 3694/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885ALDH1A1 717/4885HPGD 2579/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PARP10 1944/4885ALDH1A1 717/4885HPGD 2579/4885

“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.