SCHEMBL6917366

SCHEMBL6917366

CCCOc1ccc2ccccc2c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.47
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HTR1B P28222 5/20 0.43
HTR1D P28221 2/20 0.42
MYB P10242 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.40
MMP3 P08254 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6913432 0.91 GAA (0.52) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL6917467 0.90 GAA (0.51) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL6915133 0.90 GAA (0.51) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL10588542 0.87 ALOX5 (0.47) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL30763894 0.85 CASR (0.41) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL4877102 0.84 GAA (0.51) CNR1CNR2GAATDP1L3MBTL1
SCHEMBL25254830 0.81 MAPT (0.42) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL7864724 0.81 ALDH1A1 (0.44) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL6913361 0.80 SLC2A1 (0.46) TDP1TSHRHTR1BTLR8CYP2C9
SCHEMBL881195 0.78 MAPT (0.58) GAAMEN1KMT2AMYBCYP2C9

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 CNR1 117/4885CNR2 63/4885GAA 4799/4885

“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.