SCHEMBL6147329

SCHEMBL6147329

CCCCCC(CO)c1ccc2c(c1)C(C)(C)CCN2CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
RARG P13631 2/20 0.44
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 2/20 0.35
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRL1 P41146 3/20 0.33
RARA P10276 3/20 0.31
TBXAS1 P24557 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30
NR1I2 O75469 1/20 0.30
RORC P51449 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6147333 1.00 RARB (0.44) RARBRARGHDAC6HDAC1OPRM1
SCHEMBL4850387 0.81 PTGS1 (0.36) RARBRARGOPRM1OPRD1OPRK1
SCHEMBL6143687 0.81 RXRA (0.43) RARBRARGRARARXRAHNF4A
SCHEMBL6143683 0.81 RXRA (0.43) RARBRARGRARARXRAHNF4A
SCHEMBL6147298 0.81 RXRA (0.43) RARBRARGRARARXRAHNF4A
SCHEMBL6144443 0.78 RARB (0.45) RARBRARGHDAC6HDAC1RARA
SCHEMBL27551547 0.78 RARB (0.37) RARBRARGOPRM1OPRD1OPRK1
SCHEMBL6147048 0.75 RARB (0.40) RARBRARGRARATBXAS1PDE3B
SCHEMBL6146117 0.75 RARA (0.39) RARBRARGOPRM1RARARXRA
SCHEMBL6146120 0.75 RARA (0.39) RARBRARGOPRM1RARARXRA

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
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB RARB 3/4885RARG 2/4885HDAC6 1747/4885

“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.