SCHEMBL101828

SCHEMBL101828

COc1cc(COC(=O)NCCOc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 4/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 3/20 0.49
BRD4 O60885 1/20 0.49
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
APP P05067 1/20 0.46
PTGS1 P23219 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL102357 0.87 PTGS1 (0.51) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL102687 0.86 ALDH1A1 (0.55) ALDH1A1L3MBTL1MAPTKMT2AMTNR1A
SCHEMBL102375 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTMTNR1AMTNR1B
SCHEMBL102371 0.81 MGLL (0.52) L3MBTL1MTNR1AMTNR1BPTGS1
SCHEMBL102366 0.81 PTGS1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL102688 0.80 PTGS1 (0.49) ALDH1A1L3MBTL1KMT2AMTNR1AMTNR1B
SCHEMBL101952 0.79 MGLL (0.58) PTGS1
SCHEMBL102358 0.79 MGLL (0.58) PTGS1
SCHEMBL102685 0.79 MGLL (0.58) PTGS1
SCHEMBL102356 0.79 MGLL (0.58) PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US claimed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US claimed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 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-20120059007-A1 Pharmacologically-active vanilloid carbamates FAAH, FAAH2, TRPV1 ALDH1A1 2053/4885L3MBTL1 4713/4885MAPT 339/4885

“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.