SCHEMBL6909472

SCHEMBL6909472

CCCCc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 6/20 0.50
CYP26A1 O43174 6/20 0.50
RXRA P19793 4/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
SKP2 Q13309 1/20 0.47
RARA P10276 2/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
CYP3A4 P08684 1/20 0.41
PPARG P37231 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7142134 0.95 CYP26B1 (0.49) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7143302 0.93 CYP26A1 (0.48) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL2897524 0.89 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL4668411 0.84 CYP26B1 (0.52) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL9770704 0.83 SKP2 (0.45) CYP26B1CYP26A1RXRASKP2CYP3A4
SCHEMBL3176733 0.81 RXRA (0.54) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7207050 0.80 SKP2 (0.42) RXRASKP2NPC1HPGDMAPK1
SCHEMBL4365965 0.80 CYP26B1 (0.55) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL16998630 0.80 CYP26B1 (0.51) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL11240978 0.80 CYP26B1 (0.51) CYP26B1CYP26A1RXRARXRBRXRG

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 12 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
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
CN-1025612-C Process for preparing acetylene R disubstituted by heteroaryl and tetralin ALLERGAN INC (US) 1994-08-10 CN disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed
CN-88101234-A Acetylenes disubstituted with heteroaryl and tetralinyl having retinoid-like activity 1988-09-28 CN 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 CYP26B1 311/4885CYP26A1 420/4885RXRA 3/4885

“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.