SCHEMBL12435701

SCHEMBL12435701

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.66
ALDH1A1 P00352 3/20 0.66
BLM P54132 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
KCNK3 O14649 1/20 0.66
THRB P10828 1/20 0.66
CNR1 P21554 3/20 0.65
HPGD P15428 2/20 0.60
TRPV1 Q8NER1 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
SLC6A5 Q9Y345 1/20 0.59

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
SCHEMBL2219143 1.00 CNR2 (0.66) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL12435696 0.96 PLA2G10 (0.61) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL12435851 0.96 PLA2G10 (0.61) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL7621368 0.92 CNR1 (0.56) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL22341756 0.91 CNR1 (0.72) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL15549066 0.89 LPAR3 (0.61) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL14199487 0.88 CNR1 (0.69) CNR2ALDH1A1BLMTDP1KCNK3
SCHEMBL7769502 0.88 PLA2G10 (0.70) MEN1KMT2A
SCHEMBL7769504 0.88 PLA2G10 (0.70) MEN1KMT2A
SCHEMBL7769580 0.88 PLA2G10 (0.70) MEN1KMT2A

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 7 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-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
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 (2 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 CNR2 374/4885ALDH1A1 939/4885BLM 4556/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC CNR2 276/4885ALDH1A1 933/4885BLM 4631/4885

“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.