SCHEMBL2080074

SCHEMBL2080074

C=C(C(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP1 Q9C000 1/20 0.46
GSK3B P49841 2/20 0.45
SRD5A2 P31213 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL2081411 0.80 CES2 (0.52) CES2CES1ALOX15TSHRCA1
SCHEMBL5382720 0.79 ALDH1A1 (0.54) CES2CES1MAPTMEN1NPC1
SCHEMBL10552849 0.79 CES2 (0.54) CES2CES1ALOX15TSHRCA1
SCHEMBL13176937 0.79 HSD17B1 (0.52) CES2CA1CA2MAPTHTT
SCHEMBL126170 0.79 ALOX15 (0.58) CES2CES1ALOX15TSHRCA1
SCHEMBL6203654 0.79 CES2 (0.68) CES2CES1ALOX15TSHRCA1
SCHEMBL5389061 0.78 CYP2C9 (0.48) MEN1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL15054815 0.77 CES2 (0.52) CES2CES1CA1CA2MAPT
SCHEMBL17591087 0.77 MAPT (0.48) TSHRCA1CA2MAPTMEN1
SCHEMBL1381906 0.77 CES2 (0.52) CES2CES1ALOX15TSHRCA1

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
CN-118125919-A Preparation method of conjugated triene compound 华南理工大学 2024-06-04 CN disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
EP-1973877-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 CES2 396/4885CES1 199/4885ALOX15 759/4885

“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.