SCHEMBL13679147

SCHEMBL13679147

CC(C(=O)NCCN)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 2/20 0.68
GLI2 P10070 2/20 0.68
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
LTA4H P09960 1/20 0.52
ALOX5 P09917 1/20 0.51
GPR88 Q9GZN0 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA9 Q16790 3/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.46
ERCC1 P07992 1/20 0.45

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
SCHEMBL11533548 0.86 GLI1 (0.81) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL27598564 0.84 PTGS1 (0.65) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL1891876 0.84 PTGS1 (0.65) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL12608944 0.84 GLI1 (0.64) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL11533724 0.81 PTGS1 (0.60) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL9878055 0.81 PTGS1 (0.72) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL11531868 0.81 PTGS1 (0.72) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL27550082 0.81 PTGS1 (0.56) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL6329742 0.81 PTGS1 (0.56) GLI1GLI2PTGS1PTGS2TRPV1
SCHEMBL11533087 0.80 GLI1 (0.59) GLI1GLI2PTGS1PTGS2TRPV1

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES GLI1 3844/4885GLI2 3275/4885PTGS1 4/4885

“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.