SCHEMBL4885371

SCHEMBL4885371

CCCC=CC=CC(=O)NN

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.47
CNR1 P21554 9/20 0.47
FAAH O00519 2/20 0.47
PPARA Q07869 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL4885370 1.00 CNR2 (0.47) CNR2CNR1FAAHPPARATAS1R3
SCHEMBL28967967 0.85 CNR1 (0.63) CNR2CNR1FAAH
SCHEMBL5520144 0.84 CNR1 (0.61) CNR2CNR1FAAH
SCHEMBL5520146 0.84 CNR1 (0.61) CNR2CNR1FAAH
SCHEMBL11051266 0.78 MAOB (0.39)
SCHEMBL11816978 0.78 MAOB (0.39)
SCHEMBL5973602 0.77 ALDH1A1 (0.53) CNR2CNR1FAAHPPARATAS1R3
SCHEMBL5973606 0.77 ALDH1A1 (0.53) CNR2CNR1FAAHPPARATAS1R3
SCHEMBL5188191 0.76 PPARA (0.48) CNR2CNR1FAAHPPARATAS1R3
SCHEMBL9398170 0.76 PPARA (0.64) CNR2CNR1FAAHPPARAPTPN2

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-20140341909-A1 CONJUGATION OF BIOMOLECULES USING DIELS-ALDER CYCLOADDITION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-11-20 US disclosed
US-20080008709-A1 Conjugation of biomolecules using Diels-Alder cycloaddition The Government of the U.S. as represented by the Secretary of the Dept. of Health and Human 2008-01-10 US disclosed
US-7211445-B2 Immunology, diagnosis, therapy; complex of carbohydrate and protein; immobilization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-05-01 US disclosed
US-20040082067-A1 Immunology, diagnosis, therapy; complex of carbohydrate and protein; immobilization THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HLTH. AND HUMAN SERVICE 2004-04-29 US disclosed
US-6673905-B2 FOR COVALENTLY LINKING CARBOHYDRATES AND PROTEINS UNDER NEUTRAL CONDITIONS, BY ATTACHING DOUBLE BONDS TO A CARRIER PROTEIN, AND ATTACHING A CONJUGATED DIENE TO A CARBOHYDRATE HAPTEN, THEN COUPLING; VACCINES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-01-06 US disclosed
US-20020068818-A1 Conjugation of biomolecules using diels-alder cycloaddition POZSGAY VINCE (US) 2002-06-06 US disclosed
US-20020051788-A1 For covalently linking carbohydrates and proteins under neutral conditions, by attaching double bonds to a carrier protein, and attaching a conjugated diene to a carbohydrate hapten, then coupling; vaccines HEALTH AND HUMAN SERVICES, DEPARTMENT OF, GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, THE 2002-05-02 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 (4 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-20140341909-A1 CONJUGATION OF BIOMOLECULES USING DIELS-ALDER CYCLOADDITION DERA, DCLRE1A, CD2BP2 CNR2 3360/4885CNR1 3139/4885FAAH 4274/4885
US-20020068818-A1 Conjugation of biomolecules using diels-alder cycloaddition DERA, DCLRE1A, CD2BP2 CNR2 3360/4885CNR1 3139/4885FAAH 4274/4885
US-20020051788-A1 For covalently linking carbohydrates and proteins under neutral conditions, by attaching double bonds to a carrier protein, and attaching a conjugated diene to a carbohydrate hapten, then coupling; vaccines DCLRE1A, DERA, LY96 CNR2 2409/4885CNR1 2464/4885FAAH 3601/4885
US-20080008709-A1 Conjugation of biomolecules using Diels-Alder cycloaddition DERA, DCLRE1A, CD2BP2 CNR2 3360/4885CNR1 3139/4885FAAH 4274/4885

“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.