SCHEMBL4427655

SCHEMBL4427655

CCCCCCCN1C(=O)CC(C)(C)c2cc(C(C)=O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RARA P10276 1/20 0.38
SCN9A Q15858 5/20 0.38
TP53 P04637 2/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
RXRA P19793 2/20 0.36

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
SCHEMBL6765782 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6769021 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6769139 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL1764037 0.89 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL1764561 0.88 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6765664 0.81 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL4430921 0.81 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6765666 0.81 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6771219 0.81 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770031 0.81 RARB (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-7476673-B2 Disubstituted chalcone oximes as selective agonists of RARγ retinoid receptors ALLERGAN, INC. (US) 2009-01-13 US disclosed
US-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors ALLERGAN, INC. 2005-07-07 US disclosed
US-6683092-B1 BREAST AND/OR PROSTATE CANCER ALLERGAN, INC. 2004-01-27 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 (1 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-20050148590-A1 Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors RARG, RXRG, RARB HDAC1 1604/4885HDAC6 2289/4885HDAC3 1686/4885

“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.