SCHEMBL6913711

SCHEMBL6913711

CCC(C#N)Oc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
SLC6A2 P23975 6/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1B P28222 8/20 0.42
HTR1D P28221 2/20 0.41
NR2E1 Q9Y466 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
SCHEMBL6913436 0.86 HTR1B (0.46) SLC6A4SLC6A2HTR1BHTR1DNR2E1
SCHEMBL6915137 0.85 HTR1B (0.45) SLC6A4SLC6A2KDM4EKMT2AHTR1B
SCHEMBL6917478 0.84 HTR1B (0.44) SLC6A4SLC6A2KDM4EKMT2AHTR1B
SCHEMBL7240315 0.81 DYRK1A (0.31)
SCHEMBL9477676 0.79 MCHR1 (0.51) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL10588548 0.78 HTR1B (0.44) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL9477167 0.76 MCHR1 (0.54) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL11805995 0.76 MCHR1 (0.32)
SCHEMBL8540012 0.75 SLC6A4 (0.47) SLC6A4SLC6A2KDM4EMEN1CYP1A2
SCHEMBL6447354 0.75 KDM4E (0.42) SLC6A4SLC6A2KDM4EMEN1CYP1A2

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 SLC6A4 4531/4885SLC6A2 4660/4885KDM4E 2476/4885

“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.