SCHEMBL5573667

SCHEMBL5573667

ICc1coc(C2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX15B O15296 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL5725170 0.82 ALDH1A1 (0.36) ALDH1A1LMNAPOLBCYP2C19CYP1A2
SCHEMBL4903998 0.79 ALDH1A1 (0.34) ALDH1A1LMNAPOLBCYP2C19CYP1A2
SCHEMBL4900718 0.79 NPC1 (0.38) ALDH1A1LMNAPOLBCYP2C19CYP1A2
SCHEMBL5286858 0.77 HPGD (0.40) ALDH1A1LMNAPOLBSMN1; SMN2L3MBTL1
SCHEMBL17029332 0.76 NPC1 (0.31) ALDH1A1LMNAPOLBRAB9ANPC1
SCHEMBL15856269 0.74 USP2 (0.38) POLBL3MBTL1
SCHEMBL13827814 0.74 CTSK (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13819886 0.72 CCNE1 (0.32)
SCHEMBL13827910 0.72 NPPA (0.32)
SCHEMBL5290177 0.72 NPC1 (0.42) ALDH1A1LMNAPOLBCYP2C19CYP1A2

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
EP-1599454-B1 DIARYLCYCLOALKYL DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-26 EP disclosed
US-7160911-B2 Diarylcycloalkyl derivatives, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-09 US disclosed
EP-1599454-A2 DIARYLCYCLOALKYL DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20040204462-A1 Diarylcycloalkyl derivatives, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
WO-2004075815-A2 DIARYLCYCLOALKYL DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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-20040204462-A1 Diarylcycloalkyl derivatives, process for their preparation and their use as pharmaceuticals GPR119, HSD17B14, SLC2A1 ALDH1A1 294/4885LMNA 2583/4885POLB 2364/4885

“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.