SCHEMBL6915140

SCHEMBL6915140

CCCCCCOc1c(C#N)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MYB P10242 2/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ GAA P10253 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8749410 0.86 SLC2A1 (0.48) SLC2A1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL28150038 0.83 GAA (0.46) SLC2A1ALDH1A1MYBGAATDP1
SCHEMBL28920259 0.79 GAA (0.56) SLC2A1CNR1CNR2GAATDP1
SCHEMBL17912887 0.79 GAA (0.56) SLC2A1CNR1CNR2GAATDP1
SCHEMBL9485052 0.79 SLC2A1 (0.49) SLC2A1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL6753021 0.79 SLC2A1 (0.50) SLC2A1MYBCNR1CNR2GAA
SCHEMBL16502323 0.77 FAAH (0.44) ALDH1A1HPGDMYBHDAC6CNR1
SCHEMBL12301187 0.77 SLC2A1 (0.47) SLC2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28809243 0.77 HTR1B (0.58) CNR1CNR2CYP2C9HTR1B
SCHEMBL6915133 0.77 GAA (0.51) ALDH1A1HPGDMYBCNR1CNR2

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 SLC2A1 4177/4885ALDH1A1 4172/4885HPGD 973/4885

“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.

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