SCHEMBL5367554

SCHEMBL5367554

CCCCC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
CYP26A1 O43174 3/20 0.56
CYP26B1 Q9NR63 2/20 0.56
RXRA P19793 10/20 0.54
RXRB P28702 9/20 0.54
RXRG P48443 6/20 0.54
RARB P10826 6/20 0.54
RARG P13631 5/20 0.54
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
RARA P10276 4/20 0.51
HSD17B3 P37058 1/20 0.50
ALOX5 P09917 1/20 0.49
HTR7 P34969 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL7143184 0.95 CYP3A4 (0.54) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL7218543 0.91 CYP3A4 (0.58) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8807415 0.87 CYP26B1 (0.58) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL2195789 0.84 CYP3A4 (0.61) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9184959 0.83 CYP3A4 (0.57) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9588198 0.83 CYP26A1 (0.60) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL19072651 0.82 CYP3A4 (0.63) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9588044 0.82 CYP26A1 (0.59) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9587288 0.82 CYP3A4 (0.56) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9587941 0.81 CYP3A4 (0.54) CYP3A4CYP26A1CYP26B1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
US-6403810-B2 RESPIRATORY SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-11 US disclosed
US-20020019438-A1 Thiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 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 (3 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-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG CYP3A4 968/4885CYP26A1 315/4885CYP26B1 268/4885
US-20020019438-A1 Thiophene derivatives RARG, RARA, RARB CYP3A4 877/4885CYP26A1 232/4885CYP26B1 337/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG CYP3A4 901/4885CYP26A1 374/4885CYP26B1 285/4885

“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.