SCHEMBL10455152

SCHEMBL10455152

CC#Cc1ccc2c(c1)COc1cc(C#CC)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
AAK1 Q2M2I8 10/20 0.35
ROCK2 O75116 3/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL14985719 0.91 GRM5 (0.34) GRM5AAK1ROCK2LMNAGAA
SCHEMBL803206 0.79 MAOB (0.58) GRM5ROCK2
SCHEMBL19566332 0.79 GRM5 (0.49) GRM5LMNAGAAMAPTBACE1
SCHEMBL10454621 0.77 AAK1 (0.35) GRM5AAK1ROCK2MAPT
SCHEMBL18462455 0.75 ROCK2 (0.34) GRM5AAK1ROCK2LMNAMAPT
SCHEMBL18462718 0.75 AAK1 (0.33) GRM5AAK1ROCK2BACE1
SCHEMBL2707367 0.74 PRMT5 (0.33) GRM5AAK1ROCK2LMNA
SCHEMBL10454700 0.74 AAK1 (0.33) AAK1ROCK2MAPT
SCHEMBL2708388 0.74 AAK1 (0.35) GRM5AAK1ROCK2MAPT
SCHEMBL4656696 0.69 CYP3A4 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940184-B2 Polymerizable compounds and their use in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-01-27 US disclosed
US-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-07-19 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 (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-20120182516-A1 POLYMERIZABLE COMPOUNDS AND THEIR USE IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, ACP3 GRM5 2001/4885AAK1 1438/4885ROCK2 1298/4885

“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.