SCHEMBL13698559

SCHEMBL13698559

CC1(c2ccccc2)CC(C(C)(C)C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
CCR2 P41597 1/20 0.39
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
AKR1B1 P15121 1/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HTR7 P34969 2/20 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
SCHEMBL576031 0.79 CCR2 (0.44) SMN1; SMN2MAPK1CCR2ALDH1A1SIGMAR1
SCHEMBL577117 0.75 MAPK1 (0.40) SMN1; SMN2MAPK1CCR2POLBHTR7
SCHEMBL576483 0.70 MAPK1 (0.44) SMN1; SMN2MAPK1CCR2CHRM2CHRM4
SCHEMBL2485412 0.69 GRM2 (0.49) HTR7
SCHEMBL6081087 0.68 MAPK1 (0.39) SMN1; SMN2MAPK1ALDH1A1CHRM2CHRM4
SCHEMBL576540 0.67 BRD4 (0.41) SMN1; SMN2MAPK1CCR2ALDH1A1CHRM2
SCHEMBL10029146 0.67 HCAR3 (0.37) SMN1; SMN2MAPK1ALDH1A1CHRM2CHRM4
SCHEMBL19850785 0.67 HCAR3 (0.37) SMN1; SMN2MAPK1ALDH1A1CHRM2CHRM4
SCHEMBL11257113 0.65 ALDH1A1 (0.38) SMN1; SMN2MAPK1CCR2ALDH1A1CHRM2
SCHEMBL14350785 0.65 MMP2 (0.40) SMN1; SMN2MAPK1CCR2ALDH1A1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SMN1; SMN2 4374/4885MAPK1 2519/4885CCR2 298/4885

“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.