SCHEMBL12435696

SCHEMBL12435696

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.61
THRB P10828 2/20 0.59
KCNK3 O14649 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CNR2 P34972 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CNR1 P21554 1/20 0.59
DEGS1 O15121 1/20 0.59
CETP P11597 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
FAAH O00519 2/20 0.56
ASAH2 Q9NR71 1/20 0.56

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
SCHEMBL12435851 1.00 PLA2G10 (0.61) PLA2G10THRBKCNK3ALDH1A1CNR2
SCHEMBL2219143 0.96 CNR2 (0.66) THRBKCNK3ALDH1A1CNR2BLM
SCHEMBL12435701 0.96 CNR2 (0.66) THRBKCNK3ALDH1A1CNR2BLM
SCHEMBL7769580 0.91 PLA2G10 (0.70) PLA2G10MEN1KMT2AFAAH
SCHEMBL7769502 0.91 PLA2G10 (0.70) PLA2G10MEN1KMT2AFAAH
SCHEMBL7769504 0.91 PLA2G10 (0.70) PLA2G10MEN1KMT2AFAAH
SCHEMBL2168031 0.90 DEGS1 (0.66) THRBKCNK3ALDH1A1CNR2BLM
SCHEMBL2168034 0.90 DEGS1 (0.66) THRBKCNK3ALDH1A1CNR2BLM
SCHEMBL7621368 0.88 CNR1 (0.56) THRBKCNK3ALDH1A1CNR2BLM
SCHEMBL14010922 0.87 DEGS1 (0.63) THRBKCNK3ALDH1A1CNR2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20150202179-A1 FATTY ACID DERIVATIVES FOR USE IN A METHOD OF TREATING DEPRESSION AND ASSOCIATED CONDITIONS YISSUM RES DEV CO (IL) 2015-07-23 US disclosed
US-20150202179-A1 FATTY ACID DERIVATIVES FOR USE IN A METHOD OF TREATING DEPRESSION AND ASSOCIATED CONDITIONS YISSUM RES DEV CO (IL) 2015-07-23 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
WO-2014013497-A1 FATTY ACID DERIVATIVES FOR USE IN A METHOD OF TREATING DEPRESSION AND ASSOCIATED CONDITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-01-23 WO disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
WO-2009109973-A2 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2009-09-11 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 (3 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-20150202179-A1 FATTY ACID DERIVATIVES FOR USE IN A METHOD OF TREATING DEPRESSION AND ASSOCIATED CONDITIONS ALOX5, FFAR2, FASN PLA2G10 1058/4885THRB 1488/4885KCNK3 1925/4885
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 PLA2G10 1181/4885THRB 1824/4885KCNK3 3833/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC PLA2G10 1023/4885THRB 2232/4885KCNK3 3557/4885

“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.