SCHEMBL101658

SCHEMBL101658

COc1cc(COC(=O)NC2Cc3ccccc3C2)ccc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
ACHE P22303 2/20 0.56
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PTGS1 P23219 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.43
FABP5 Q01469 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL102353 0.84 MEN1 (0.63) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL102375 0.77 ALDH1A1 (0.54) PTGS1NPC1RAB9APOLBTP53
SCHEMBL102366 0.77 PTGS1 (0.54) CA1CA2PTGS1NPC1RAB9A
SCHEMBL170233 0.76 ALDH1A1 (0.65) CA1CA2ACHEMEN1KMT2A
SCHEMBL102687 0.76 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL27266951 0.76 CA1 (0.61) CA1CA2ACHETSHREPHX1
SCHEMBL101961 0.74 KMT2A (0.58) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL102357 0.74 PTGS1 (0.51) CA1CA2PTGS1MEN1KMT2A
SCHEMBL102698 0.73 PTGS1 (0.53) PTGS1MEN1KMT2ANPC1RAB9A
SCHEMBL101828 0.73 ALDH1A1 (0.60) PTGS1MEN1KMT2ANPC1RAB9A

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 CA1 393/4885CA2 354/4885ACHE 32/4885

“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.