SCHEMBL4888294

SCHEMBL4888294

CC=CC=CCCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
AKT1 P31749 1/20 0.45
SOAT1 P35610 1/20 0.45
CNR2 P34972 8/20 0.42
CNR1 P21554 6/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
OXER1 Q8TDS5 2/20 0.39
ALOX5 P09917 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
SCHEMBL4888284 1.00 TSHR (0.48) TSHRAKT1SOAT1CNR2CNR1
SCHEMBL19289868 0.88 TSHR (0.52) TSHRSOAT1CNR2CNR1PPARG
SCHEMBL1759110 0.87
SCHEMBL1759112 0.87
SCHEMBL10049011 0.86 SOAT1 (0.45) TSHRAKT1SOAT1CNR2CNR1
SCHEMBL1874939 0.86 SOAT1 (0.45) TSHRAKT1SOAT1CNR2CNR1
SCHEMBL1874937 0.86 SOAT1 (0.45) TSHRAKT1SOAT1CNR2CNR1
SCHEMBL23706440 0.83 TSHR (0.52) TSHRAKT1PPARGPPARDPPARA
SCHEMBL3084656 0.83 TSHR (0.52) TSHRAKT1PPARGPPARDPPARA
SCHEMBL21594794 0.83 TSHR (0.52) TSHRAKT1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117154213-A Viscoelastic conductive polymer electrolyte, preparation method thereof and lithium metal semi-solid battery 四川启睿克科技有限公司 2023-12-01 CN claimed
CN-117154213-A Viscoelastic conductive polymer electrolyte, preparation method thereof and lithium metal semi-solid battery 四川启睿克科技有限公司 2023-12-01 CN disclosed
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 TSHR 2843/4885AKT1 3561/4885SOAT1 1386/4885
US-20020068818-A1 Conjugation of biomolecules using diels-alder cycloaddition DERA, DCLRE1A, CD2BP2 TSHR 2843/4885AKT1 3561/4885SOAT1 1386/4885
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 TSHR 3303/4885AKT1 3007/4885SOAT1 1154/4885
US-20080008709-A1 Conjugation of biomolecules using Diels-Alder cycloaddition DERA, DCLRE1A, CD2BP2 TSHR 2843/4885AKT1 3561/4885SOAT1 1386/4885

“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.