SCHEMBL102687

SCHEMBL102687

COc1cc(COC(=O)NCCc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
POLB P06746 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL4187817 0.90 TRPV1 (0.55) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL102375 0.88 ALDH1A1 (0.54) ALDH1A1NPC1RAB9APOLBMTNR1A
SCHEMBL101828 0.86 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AGAAMTNR1A
SCHEMBL102357 0.85 PTGS1 (0.51) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL102371 0.84 MGLL (0.52) MTNR1AMTNR1BL3MBTL1
SCHEMBL102366 0.83 PTGS1 (0.54) ALDH1A1NPC1RAB9APKMSMN1; SMN2
SCHEMBL102688 0.83 PTGS1 (0.49) ALDH1A1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL101952 0.82 MGLL (0.58)
SCHEMBL102358 0.82 MGLL (0.58)
SCHEMBL102356 0.82 MGLL (0.58)

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 2053/4885PLAAT3 898/4885PLAAT5 714/4885

“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.