SCHEMBL6915365

SCHEMBL6915365

CC(Oc1c(C#N)ccc2ccccc12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ SLC22A12 Q96S37 3/20 0.38
▸ IMPDH2 P12268 1/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ CYP2D6 P10635 4/20 0.36
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ NOS2 P35228 4/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24476762 0.76 IMPDH2 (0.53) CA1CA2SLC22A12IMPDH2IMPDH1
SCHEMBL2422193 0.76 CA1 (0.48) CA1CA2SLC22A12IMPDH2IMPDH1
SCHEMBL6913366 0.75 CYP2D6 (0.48) CA1CA2SLC22A12IMPDH2IMPDH1
SCHEMBL5662874 0.73 WDR5 (0.50) ALDH1A1KDM4EHPGD
SCHEMBL753811 0.73 ADRA2A (0.44) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL28150038 0.72 GAA (0.46) CA1CA2SLC22A12IMPDH2IMPDH1
SCHEMBL31610159 0.72 IMPDH2 (0.45) CA1CA2SLC22A12IMPDH2IMPDH1
SCHEMBL1127683 0.71 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AADRA2AADRA2B
SCHEMBL6962347 0.71 POLB (0.45) CYP2D6ALDH1A1HPGDNOS2SLC6A2
SCHEMBL5950664 0.70 TSHR (0.54) CA1CA2SLC22A12IMPDH2IMPDH1

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 CA1 4681/4885CA2 4652/4885SLC22A12 3494/4885

“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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