SCHEMBL136543

SCHEMBL136543

CCC(NC(=O)OCc1ccc(OC(C)=O)c(OC)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS1 P23219 1/20 0.48
ATM Q13315 2/20 0.44
LDHA P00338 1/20 0.44
TSHR P16473 1/20 0.44
LTA4H P09960 2/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSK P43235 1/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MME P08473 1/20 0.40
LPAR1 Q92633 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 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
SCHEMBL136888 0.84 MAPK1 (0.57) MEN1KMT2APTGS1ATMLDHA
SCHEMBL102366 0.83 PTGS1 (0.54) PTGS1TSHRLTA4HCA1CA2
SCHEMBL137093 0.80 MEN1 (0.47) MEN1KMT2APTGS1TSHRLTA4H
SCHEMBL175179 0.80 MEN1 (0.47) MEN1KMT2APTGS1TSHRLTA4H
SCHEMBL7009463 0.78 ATM (0.64) ATMLDHACTSKPPARGPPARA
SCHEMBL10425937 0.77 LDHA (0.56) MEN1KMT2APTGS1ATMLDHA
SCHEMBL9819533 0.77 LDHA (0.56) MEN1KMT2APTGS1ATMLDHA
SCHEMBL9405347 0.77 LDHA (0.56) MEN1KMT2APTGS1ATMLDHA
SCHEMBL102371 0.77 MGLL (0.52) PTGS1LTA4H
SCHEMBL102375 0.77 ALDH1A1 (0.54) PTGS1MAPK1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1600/4885PTGS1 74/4885

“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.