SCHEMBL21628403

SCHEMBL21628403

CCc1ccc(Oc2ccc(C(=O)NO)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.52
OPRK1 P41145 2/20 0.52
HDAC6 Q9UBN7 7/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC3 O15379 2/20 0.46
HDAC8 Q9BY41 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
SMPD1 P17405 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
SCHEMBL21628787 0.90 OPRM1 (0.51) OPRM1OPRK1HDAC6HDAC1TAS1R3
SCHEMBL21628696 0.90 PLK1 (0.56) OPRM1OPRK1TAS1R3TAS1R1
SCHEMBL21628778 0.88 SMPD1 (0.54) OPRM1OPRK1HDAC6HDAC1HDAC3
SCHEMBL21628860 0.87 SMPD1 (0.58) OPRM1OPRK1SMPD1
SCHEMBL21628662 0.86 KMT2A (0.48)
SCHEMBL21628733 0.86 SMPD1 (0.60) SMPD1
SCHEMBL21628451 0.85 HDAC1 (0.56) OPRM1OPRK1HDAC6HDAC1HDAC8
SCHEMBL21628551 0.85 LMNA (0.56)
SCHEMBL21628562 0.84 PARP10 (0.55) OPRM1OPRK1
SCHEMBL29921049 0.82 HDAC6 (0.49) OPRM1OPRK1HDAC6HDAC1HDAC3

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 8 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-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 (6 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 OPRM1 3978/4885OPRK1 2780/4885HDAC6 2604/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885HDAC6 2604/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK OPRM1 4075/4885OPRK1 3124/4885HDAC6 2978/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR OPRM1 817/4885OPRK1 684/4885HDAC6 1293/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885HDAC6 2604/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK OPRM1 3978/4885OPRK1 2780/4885HDAC6 2604/4885

“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.