SCHEMBL6917467

SCHEMBL6917467

CCCCCCCOc1ccc2ccccc2c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 3/20 0.51
CNR2 P34972 3/20 0.51
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTR1B P28222 3/20 0.45
MCHR1 Q99705 2/20 0.44
TLR8 Q9NR97 2/20 0.44
HTR1D P28221 1/20 0.43
MYB P10242 1/20 0.42
SLC6A4 P31645 1/20 0.41
KCNA3 P22001 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6915133 1.00 GAA (0.51) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL6913432 0.99 GAA (0.52) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL6917366 0.90 CNR1 (0.48) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL7420976 0.86 GAA (0.55) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL9601688 0.84 TLR8 (0.49) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL10588542 0.83 ALOX5 (0.47) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL10829149 0.83 ALDH1A1 (0.55) L3MBTL1MEN1HTTKMT2AALDH1A1
SCHEMBL28891622 0.80 CNR1 (0.46) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL17912887 0.79 GAA (0.56) GAATDP1L3MBTL1CNR1CNR2
SCHEMBL28920259 0.79 GAA (0.56) GAATDP1L3MBTL1CNR1CNR2

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-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA GAA 4799/4885TDP1 4091/4885L3MBTL1 3512/4885

“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.