SCHEMBL21628671

SCHEMBL21628671

O=C(NO)c1ccc(Oc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC1 Q13547 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
KDM1A O60341 2/20 0.40
MMP1 P03956 2/20 0.40
SCN9A Q15858 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL21628644 0.87 HPGD (0.61) HDAC6HDAC8HDAC1HPGDTSHR
SCHEMBL21628646 0.87 HPGD (0.61) HDAC6HDAC8HDAC1HPGDTSHR
SCHEMBL21628894 0.85 POLB (0.43) HDAC6HDAC8HDAC1OPRM1OPRK1
SCHEMBL21628892 0.85 POLB (0.43) HDAC6HDAC8HDAC1OPRM1OPRK1
SCHEMBL21656895 0.84 OPRM1 (0.48) HDAC6HDAC8HDAC1OPRM1OPRK1
SCHEMBL23210653 0.84 PARP10 (0.49) CA1CA2HPGD
SCHEMBL23210656 0.84 PARP10 (0.49) CA1CA2HPGD
SCHEMBL23210634 0.83 CA1 (0.47) CA1CA2HPGDTSHRSMN1; SMN2
SCHEMBL21656813 0.83 CA1 (0.47) CA1CA2HPGDTSHRSMN1; SMN2
SCHEMBL21628520 0.82 PARP10 (0.58) CA1CA2

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 HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC6 2978/4885HDAC8 883/4885HDAC1 2387/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HDAC6 1293/4885HDAC8 699/4885HDAC1 315/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC6 2604/4885HDAC8 768/4885HDAC1 1840/4885

“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.