SCHEMBL4762004

SCHEMBL4762004

CCCCCCONC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
EPHX1 P07099 1/20 0.48
TSHR P16473 2/20 0.47
NAAA Q02083 1/20 0.47
PLA2G2C Q5R387 1/20 0.46
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
FAAH O00519 1/20 0.43
ACHE P22303 6/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42

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
SCHEMBL18525732 1.00 CES2 (0.50) CES2EPHX1TSHRNAAAPLA2G2C
SCHEMBL4650512 0.98 CES2 (0.47) CES2EPHX1TSHRNAAAPLA2G2C
SCHEMBL4855767 0.91
SCHEMBL14211695 0.85 CNR2 (0.59) TSHRCNR2TRPV1
SCHEMBL3267106 0.83 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2
SCHEMBL21724593 0.83 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2
SCHEMBL30924503 0.83 GAA (0.44) CNR2TRPV1ACHE
SCHEMBL8516233 0.83 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2
SCHEMBL11670372 0.83 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2
SCHEMBL28816929 0.83 EPHX1 (0.48) CES2EPHX1TSHRNAAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7355074-B2 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same THE UNIVERSITY OF MARYLAND (US) 2008-04-08 US disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same MARYLAND, UNIVERSITY OF 2005-01-13 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP 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-20050009921-A1 Compounds having aromatic rings and side-chain amide-functionality and a method for transporting monovalent anions across biological membranes using the same SLC26A3, SLC22A8, SLC43A1 CES2 1624/4885EPHX1 2121/4885TSHR 2124/4885
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM CES2 4089/4885EPHX1 1855/4885TSHR 2772/4885

“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.