SCHEMBL102375

SCHEMBL102375

COc1cc(COC(=O)NCc2ccccc2)ccc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
PTGS1 P23219 1/20 0.50
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PLAU P00749 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPT P10636 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL102687 0.88 ALDH1A1 (0.55) ALDH1A1NPC1PKMRAB9ASMN1; SMN2
SCHEMBL102366 0.85 PTGS1 (0.54) ALDH1A1PTGS1NPC1PKMRAB9A
SCHEMBL101828 0.83 ALDH1A1 (0.60) ALDH1A1PTGS1NPC1RAB9ASMN1; SMN2
SCHEMBL6376622 0.83 NPC1 (0.52) ALDH1A1NPC1PKMRAB9APLAU
SCHEMBL102357 0.82 PTGS1 (0.51) ALDH1A1PTGS1NPC1PKMRAB9A
SCHEMBL27989284 0.81 LMNA (0.55) ALDH1A1PKMPLAUSMN1; SMN2LMNA
SCHEMBL102371 0.81 MGLL (0.52) PTGS1MTNR1AMTNR1BL3MBTL1
SCHEMBL6376195 0.80 NPC1 (0.59) ALDH1A1NPC1PKMRAB9APLAU
SCHEMBL7647107 0.80 NPC1 (0.59) ALDH1A1NPC1PKMRAB9ASMN1; SMN2
SCHEMBL101661 0.80 PTGS1 (0.49) ALDH1A1PTGS1PKMSMN1; SMN2HPGD

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 2053/4885PTGS1 74/4885NPC1 1722/4885

“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.