SCHEMBL14874175

SCHEMBL14874175

C=C(c1ccc(C(=O)NO)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 1.00
HDAC3 O15379 1/20 1.00
HDAC4 P56524 1/20 1.00
HDAC1 Q13547 1/20 1.00
HDAC7 Q8WUI4 1/20 1.00
HDAC2 Q92769 1/20 1.00
HDAC10 Q969S8 1/20 1.00
HDAC11 Q96DB2 1/20 1.00
HDAC8 Q9BY41 1/20 1.00
HDAC6 Q9UBN7 1/20 1.00
HDAC9 Q9UKV0 1/20 1.00
HDAC5 Q9UQL6 1/20 1.00
RXRB P28702 8/20 0.73
RXRG P48443 8/20 0.73
RARB P10826 6/20 0.73
RARG P13631 5/20 0.73
RARA P10276 3/20 0.73
MEN1 O00255 1/20 0.73
CYP26A1 O43174 1/20 0.73
ABCB11 O95342 1/20 0.73

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
SCHEMBL22560751 0.89 RXRA (0.81) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL14874176 0.87 RXRA (0.77) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL1073921 0.86 RXRA (0.76) RXRAHDAC3HDAC4HDAC1HDAC7
Bexarotene SCHEMBL29412584 0.85 RXRA (1.00) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12181009 0.85 RXRA (0.79) RXRAHDAC3HDAC4HDAC1HDAC7
Bexarotene SCHEMBL9025 0.85 RXRA (1.00) RXRAHDAC3HDAC4HDAC1HDAC7
Bexarotene SCHEMBL5322954 0.85 RXRA (1.00) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12755164 0.85 RXRA (0.79) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL2594347 0.84 RXRA (0.73) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL31758293 0.84 RXRA (0.73) RXRAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO 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-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885HDAC3 890/4885HDAC4 850/4885

“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.