SCHEMBL8274396

SCHEMBL8274396

CCO/N=C/c1cccc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
UNG P13051 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CHRM5 P08912 1/20 0.34
ACHE P22303 1/20 0.34
SRC P12931 4/20 0.34
RECQL P46063 2/20 0.34
HMGCR P04035 1/20 0.34

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
SCHEMBL13915486 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1L3MBTL1CYP26A1
SCHEMBL8274382 0.81 SRC (0.47) SMN1; SMN2LMNAALDH1A1CYP26B1NPC1
SCHEMBL18590254 0.80 LMNA (0.50) SMN1; SMN2LMNARAB9ARECQL
SCHEMBL13468797 0.78 NPC1 (0.58) SMN1; SMN2LMNAALDH1A1L3MBTL1NPC1
SCHEMBL8459424 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1L3MBTL1UNGNPC1
SCHEMBL13469226 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1L3MBTL1UNGNPC1
SCHEMBL18767289 0.75 HDAC4 (0.40) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL5407676 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1L3MBTL1NPC1
SCHEMBL13351520 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1L3MBTL1NPC1
SCHEMBL15614329 0.74 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1UNG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R SMN1; SMN2 4636/4885LMNA 2394/4885ALDH1A1 3883/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 SMN1; SMN2 4388/4885LMNA 2885/4885ALDH1A1 3033/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R SMN1; SMN2 4636/4885LMNA 2394/4885ALDH1A1 3883/4885

“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.