SCHEMBL6916487

SCHEMBL6916487

CC(C)c1cc(C(=O)CO)cc(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
USP5 P45974 1/20 0.40
FABP5 Q01469 1/20 0.35
POLB P06746 2/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP2C9 P11712 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HPGD P15428 1/20 0.33
TP53BP1 Q12888 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32

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
SCHEMBL20043786 0.84 HSD17B10 (0.49) POLBKDM4EL3MBTL1ALDH1A1
SCHEMBL6580274 0.80 TP53BP1 (0.48) USP5RXRARXRBRXRGHPGD
SCHEMBL11796064 0.78 USP5 (0.63) USP5POLBRXRARXRBCYP2C9
SCHEMBL16953048 0.76 GABRA1 (0.34) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL27414318 0.75 USP5 (0.54) FABP3FABP4USP5POLBCYP2C9
SCHEMBL4527627 0.75 FABP3 (0.56) FABP3FABP4USP5RXRARXRB
SCHEMBL8146335 0.75 CA5A (0.48) FABP3FABP4USP5FABP5RXRA
SCHEMBL14590877 0.74 HSP90AA1 (0.54) HPGDL3MBTL1ALDH1A1HSP90AA1HSP90AB1
SCHEMBL20889575 0.74 USP5 (0.45) USP5POLBRXRARXRBRXRG
SCHEMBL24810177 0.73 FABP3 (0.43) FABP3FABP4USP5FABP5RXRA

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-B1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARM INC (US) 2003-04-02 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP 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 FABP3 269/4885FABP4 410/4885USP5 3769/4885

“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.