SCHEMBL6281772

SCHEMBL6281772

CC(=O)c1cc2c(cc1O)C(C)(C)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
RARB P10826 1/20 0.40
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 4/20 0.37
RECQL P46063 2/20 0.37
ALOX12 P18054 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11340266 0.84 RXRA (0.43) RXRARXRBRXRGRARBRARA
SCHEMBL21730005 0.81 RXRA (0.44) RXRARXRBRXRGALDH1A1HPGD
SCHEMBL9186754 0.81 RXRA (0.64) RXRARXRBRXRGRARBRARA
SCHEMBL6275679 0.81 RXRA (0.47) RXRARXRBRXRGRARBRARA
SCHEMBL726366 0.80 RXRA (0.59) RXRARXRBRXRGRARBRARA
SCHEMBL5706327 0.77 RXRA (0.51) RXRARXRBRXRGALDH1A1HPGD
SCHEMBL4041645 0.76 HTT (0.47) ALDH1A1HPGDTDP1MAPTSMN1; SMN2
SCHEMBL31009038 0.76 HTT (0.47) ALDH1A1HPGDTDP1MAPTSMN1; SMN2
SCHEMBL3895440 0.76 HTT (0.47) ALDH1A1HPGDTDP1MAPTSMN1; SMN2
SCHEMBL6278724 0.76 RXRA (0.41) RXRARXRBRXRGALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 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 (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-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 RXRA 19/4885RXRB 33/4885RXRG 36/4885

“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.