SCHEMBL6915258

SCHEMBL6915258

COC(=O)c1ccc(CN2CCOc3cc4c(cc32)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.45
▸ RARA P10276 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ SIRT1 Q96EB6 1/20 0.44
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ CYP26A1 O43174 2/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL6913825 0.88 RXRA (0.50) HDAC1HDAC6RARARARBRARG
SCHEMBL6908874 0.80 HDAC1 (0.55) HDAC1HDAC6CYP3A4
SCHEMBL2823606 0.80 SIRT1 (0.51) HDAC1HDAC6SIRT1ROCK2ROCK1
SCHEMBL18581189 0.80 CYP2C9 (0.53) HDAC1HDAC6ROCK2ROCK1SMN1; SMN2
SCHEMBL23769113 0.79 ROCK2 (0.50) HDAC1HDAC6SIRT1ROCK2ROCK1
SCHEMBL18581215 0.79 CYP2C9 (0.54) HDAC1HDAC6SIRT1ROCK2ROCK1
SCHEMBL31490290 0.79 ROCK2 (0.50) HDAC1HDAC6SIRT1ROCK2ROCK1
SCHEMBL2822301 0.78 ALDH1A1 (0.48) HDAC1HDAC6SIRT1MAPK1SMN1; SMN2
SCHEMBL18612546 0.76 CYP2C9 (0.49) HDAC1HDAC6SIRT1ROCK2ROCK1
SCHEMBL19278474 0.75 HDAC6 (0.77) HDAC1HDAC6RARARARBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 — — US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 — — EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 — — US disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 — — EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 — — 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA HDAC1 632/4885HDAC6 1545/4885RARA 28/4885

“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.

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