SCHEMBL16057162

SCHEMBL16057162

O=C(Oc1ncccc1CCc1ccc(-c2ccccc2)cc1)Oc1ncccc1CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
CES1 P23141 3/20 0.43
MMP12 P39900 5/20 0.41
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FAAH O00519 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCB1 P08183 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
SCHEMBL16057164 0.92 FFAR1 (0.44) FFAR1CES1MMP12MMP13MMP2
SCHEMBL16058002 0.91 ABCB1 (0.47) KMT2ANPC1RAB9AHDAC6ABCB1
SCHEMBL14975891 0.87 MEN1 (0.42) FFAR1CES1MEN1KMT2ANPC1
SCHEMBL16057401 0.83 PTGER1 (0.46) MEN1KMT2ANPC1RAB9ASLC6A3
SCHEMBL16056927 0.83 BID (0.44) FFAR1CES1MEN1KMT2ASLC6A3
SCHEMBL16058003 0.82 ABCB1 (0.47) KMT2ANPC1RAB9AHDAC6ABCB1
SCHEMBL16057367 0.82 BID (0.47) CES1FAAH
SCHEMBL14975778 0.81 SLC13A5 (0.41) FFAR1KMT2ANPC1RAB9AABCB1
SCHEMBL16057421 0.79 CYP17A1 (0.43) MMP12MMP13
SCHEMBL14975892 0.79 MEN1 (0.42) FFAR1CES1MEN1KMT2ANPC1

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-9828338-B2 Carbamate derivatives of lactam based N-acylethanolamine acid amidase (NAAA) inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-28 US disclosed
US-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-10 US disclosed
WO-2014144836-A2 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO 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-20160068482-A1 CARBAMATE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS NAAA, FAAH, FAAH2 FFAR1 297/4885CES1 14/4885MMP12 307/4885

“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.