SCHEMBL102353

SCHEMBL102353

COc1cc(COC(=O)NC2CCCCC2)ccc1OC(C)=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
EPHX1 P07099 3/20 0.55
PTGS1 P23219 1/20 0.48
ALPL P05186 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
EPHX2 P34913 1/20 0.45
FKBP1A P62942 1/20 0.45
CCR5 P51681 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
SCHEMBL101961 0.84 KMT2A (0.58) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL101658 0.84 CA1 (0.56) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL102366 0.78 PTGS1 (0.54) RAB9ANPC1PTGS1ALDH1A1EPHX2
SCHEMBL22104103 0.78 EPHX2 (0.68) RAB9ANPC1EPHX1ALDH1A1HPGD
SCHEMBL23417659 0.75 EPHX2 (0.68) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL2674852 0.75 MEN1 (0.59) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL102357 0.75 PTGS1 (0.51) MEN1KMT2ARAB9ANPC1PTGS1
SCHEMBL15085012 0.75 EPHX1 (0.60) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL13590482 0.75 EPHX1 (0.74) MEN1KMT2ARAB9ANPC1EPHX1
SCHEMBL102371 0.74 MGLL (0.52) PTGS1EPHX2

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 MEN1 2796/4885KMT2A 1600/4885RAB9A 1588/4885

“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.