SCHEMBL1774804

SCHEMBL1774804

CCCCC/C=C/OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
TRPV1 Q8NER1 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1774805 1.00 FAAH (0.44) FAAHTRPV1LPAR3ALDH1A1TSHR
SCHEMBL1142440 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL1142682 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL5396342 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL5396337 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL5400042 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL10445603 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL1618860 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL1142349 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN
SCHEMBL5406140 0.98 FAAH (0.48) FAAHTRPV1LPAR3TSHRGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090542-B2 Methods for labeling a substrate using a hetero-diels-alder reaction UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-07-28 US disclosed
US-20110257047-A1 Methods for Labeling a Substrate Using a Hetero-Diels-Alder Reaction NATIONAL SCIENCE FOUNDATION 2011-10-20 US disclosed
US-20110108411-A1 METHODS FOR LABELING A SUBSTRATE USING A HETERO-DIELS-ALDER REACTION UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2011-05-12 US disclosed
US-7175871-B2 Acyclic enol ethers, isomers thereof, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC (US) 2007-02-13 US disclosed
US-20040013779-A1 Acyclic enol ethers, isomers thereof, organoleptic uses thereof and processes for preparing same MOOKHERJEE BRAJA DULAL (US) 2004-01-22 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-20110108411-A1 METHODS FOR LABELING A SUBSTRATE USING A HETERO-DIELS-ALDER REACTION SQOR, NQO1, MSMO1 FAAH 2452/4885TRPV1 4814/4885LPAR3 4116/4885
US-20110257047-A1 Methods for Labeling a Substrate Using a Hetero-Diels-Alder Reaction SQOR, NQO1, MSMO1 FAAH 2452/4885TRPV1 4814/4885LPAR3 4116/4885

“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.