SCHEMBL21628684

SCHEMBL21628684

CCCCCCc1ccc(Oc2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
SMPD1 P17405 2/20 0.60
PLK1 P53350 2/20 0.55
HDAC8 Q9BY41 1/20 0.55
PLK3 Q9H4B4 1/20 0.54
RARB P10826 4/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RARA P10276 1/20 0.52
MAPT P10636 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
HAO1 Q9UJM8 1/20 0.52

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
SCHEMBL21628550 0.99 HDAC1 (0.59) HDAC1SMPD1PLK1HDAC8PLK3
SCHEMBL21628407 0.94 PLK1 (0.62) HDAC1SMPD1PLK1HDAC8RARB
SCHEMBL9504756 0.91 HDAC1 (0.73) HDAC1SMPD1PLK1HDAC8RARB
SCHEMBL8060359 0.89 HDAC1 (0.70) HDAC1SMPD1PLK1HDAC8RARB
SCHEMBL21628877 0.89 PLK1 (0.72) PLK1PLK3RARBTHRATHRB
SCHEMBL21628915 0.88 PLK1 (0.60) HDAC1PLK1HDAC8ALDH1A1
SCHEMBL21628518 0.87 PLK1 (0.74) PLK1PLK3RARBTHRB
Acetic Acid SCHEMBL9504741 0.87 HDAC1 (0.71) HDAC1SMPD1PLK1HDAC8PLK3
Acetic Acid SCHEMBL9504786 0.87 HDAC1 (0.71) HDAC1SMPD1PLK1HDAC8PLK3
SCHEMBL4185605 0.87 RARB (0.69) HDAC1SMPD1PLK1HDAC8RARB

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 HDAC1 1840/4885SMPD1 4524/4885PLK1 3032/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885SMPD1 4524/4885PLK1 3032/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK HDAC1 2387/4885SMPD1 4504/4885PLK1 2623/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885SMPD1 4524/4885PLK1 3032/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR HDAC1 315/4885SMPD1 4059/4885PLK1 3885/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885SMPD1 4524/4885PLK1 3032/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK HDAC1 1840/4885SMPD1 4524/4885PLK1 3032/4885

“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.