SCHEMBL6917478

SCHEMBL6917478

CCCCCCC(C#N)Oc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 7/20 0.42
SLC6A2 P23975 6/20 0.42
HTR1D P28221 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
SCHEMBL6915137 0.99 HTR1B (0.45) HTR1BKDM4EKMT2AL3MBTL1SLC6A4
SCHEMBL6913436 0.94 HTR1B (0.46) HTR1BSLC6A4SLC6A2HTR1D
SCHEMBL6913711 0.84 SLC6A4 (0.43) HTR1BKDM4EKMT2ASLC6A4SLC6A2
SCHEMBL20506758 0.81 KDM4E (0.54) HTR1BKDM4EKMT2AL3MBTL1SLC6A4
SCHEMBL27632342 0.77 HTR1B (0.43) HTR1BKDM4EKMT2AL3MBTL1SLC6A4
SCHEMBL3264756 0.76 ALDH1A1 (0.41) KMT2ASLC6A4SLC6A2
SCHEMBL28177054 0.76 HTR1B (0.42) HTR1BKDM4EKMT2AL3MBTL1SLC6A4
SCHEMBL8065096 0.76 KDM4E (0.49) KDM4EKMT2AL3MBTL1SLC6A4SLC6A2
SCHEMBL5876880 0.75 HTR1B (0.49) HTR1BSLC6A4SLC6A2HTR1D
SCHEMBL18837359 0.74 HTR1B (0.52) HTR1BKDM4EKMT2ASLC6A4SLC6A2

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 HTR1B 858/4885KDM4E 2476/4885KMT2A 1152/4885

“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.