SCHEMBL3458335

SCHEMBL3458335

C=CCc1cccc(OCCCC)c1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.51
GABRB2 P47870 2/20 0.51
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL14695733 0.92 GABRA1 (0.53) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL10433454 0.86 KDM4E (0.56) GABRA1GABRB2KDM4EALDH1A1ELANE
SCHEMBL8072797 0.84 KDM4E (0.60) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL3461924 0.83 CNR2 (0.48) CNR2CNR1ALOX5KDM4EALDH1A1
SCHEMBL2848296 0.82 GABRA1 (0.49) GABRA1GABRB2KDM4EALDH1A1ELANE
SCHEMBL28783874 0.81 KDM4E (0.60) CNR2CNR1KDM4EALDH1A1CYP1A2
SCHEMBL3460898 0.81 CNR2 (0.46) GABRA1GABRB2CNR2CNR1ALOX5
SCHEMBL4960145 0.80 CYP1A2 (0.57) ALOX5PTGS2CYP1A2CYP2C9CYP2C19
SCHEMBL28158323 0.80 KDM4E (0.58) CNR2KDM4EALDH1A1CYP1A2
SCHEMBL6061598 0.80 ALOX5 (0.55) GABRA1GABRB2CNR2CNR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 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 (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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR GABRA1 340/4885GABRB2 371/4885CNR2 228/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 GABRA1 618/4885GABRB2 473/4885CNR2 401/4885

“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.